N-[3-[(4aS,7aS)-2-amino-4,4a,6,7-tetrahydrofuro[3,2-d][1,3]oxazin-7a-yl]-4-phosphanylphenyl]-5-ethoxypyrazine-2-carboxamide

C19H22N5O4P — CID 144615578

IUPACN-[3-[(4aS,7aS)-2-amino-4,4a,6,7-tetrahydrofuro[3,2-d][1,3]oxazin-7a-yl]-4-phosphanylphenyl]-5-ethoxypyrazine-2-carboxamide
SMILESCCOc1cnc(C(=O)Nc2ccc(P)c([C@@]34CCO[C@@H]3COC(N)=N4)c2)cn1
InChIInChI=1S/C19H22N5O4P/c1-2-26-16-9-21-13(8-22-16)17(25)23-11-3-4-14(29)12(7-11)19-5-6-27-15(19)10-28-18(20)24-19/h3-4,7-9,15H,2,5-6,10,29H2,1H3,(H2,20,24)(H,23,25)/t15-,19+/m1/s1
InChIKeyJIKPFOJJPILVDK-BEFAXECRSA-N
MW415.39 g/mol
LogP0.96
Rot. Bonds5

About N-[3-[(4aS,7aS)-2-amino-4,4a,6,7-tetrahydrofuro[3,2-d][1,3]oxazin-7a-yl]-4-phosphanylphenyl]-5-ethoxypyrazine-2-carboxamide

N-[3-[(4aS,7aS)-2-amino-4,4a,6,7-tetrahydrofuro[3,2-d][1,3]oxazin-7a-yl]-4-phosphanylphenyl]-5-ethoxypyrazine-2-carboxamide (PubChem CID 144615578) has the molecular formula C19H22N5O4P and a molecular weight of 415.39 g/mol. Its IUPAC name is N-[3-[(4aS,7aS)-2-amino-4,4a,6,7-tetrahydrofuro[3,2-d][1,3]oxazin-7a-yl]-4-phosphanylphenyl]-5-ethoxypyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4aS,7aS)-2-amino-4,4a,6,7-tetrahydrofuro[3,2-d][1,3]oxazin-7a-yl]-4-phosphanylphenyl]-5-ethoxypyrazine-2-carboxamide
PubChem CID144615578
Molecular FormulaC19H22N5O4P
Molecular Weight415.39 g/mol
Exact Mass415.14
IUPAC NameN-[3-[(4aS,7aS)-2-amino-4,4a,6,7-tetrahydrofuro[3,2-d][1,3]oxazin-7a-yl]-4-phosphanylphenyl]-5-ethoxypyrazine-2-carboxamide
SMILESCCOc1cnc(C(=O)Nc2ccc(P)c([C@@]34CCO[C@@H]3COC(N)=N4)c2)cn1
InChIInChI=1S/C19H22N5O4P/c1-2-26-16-9-21-13(8-22-16)17(25)23-11-3-4-14(29)12(7-11)19-5-6-27-15(19)10-28-18(20)24-19/h3-4,7-9,15H,2,5-6,10,29H2,1H3,(H2,20,24)(H,23,25)/t15-,19+/m1/s1
InChIKeyJIKPFOJJPILVDK-BEFAXECRSA-N
XLogP0.96
TPSA120.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.39
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N-[3-[(4aS,7aS)-2-amino-4,4a,6,7-tetrahydrofuro[3,2-d][1,3]oxazin-7a-yl]-4-phosphanylphenyl]-5-ethoxypyrazine-2-carboxamide with MolForge

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Related Compounds

N-[3-(2-amino-4a-methyl-5,7-dihydro-4H-furo[3,4-d][1,3]oxazin-7a-yl)-4-fluorophenyl]-5-ethoxypyrazine-2-carboxamide
CID 123520039
N-[3-(2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-4-fluorophenyl]-5-ethoxypyrazine-2-carboxamide
CID 68586164
N-[3-[(4S)-2-amino-4-(difluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyrazine-2-carboxamide
CID 74222187
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(oxetan-2-ylmethoxy)pyrazine-2-carboxamide
CID 59250583
N-[3-[(8aS)-2-amino-4,4a,5,6,7,8-hexahydro-3,1-benzoxazin-8a-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 53251519
N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4,5-difluorophenyl]-5-ethoxypyrazine-2-carboxamide
CID 68943180
N-[3-[(4aR)-3-amino-2-methyl-1,1-dioxo-5,6,8,8a-tetrahydropyrano[4,3-e][1,2,4]thiadiazin-4a-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 89036616
N-[3-[(4S,4aS,5S,7aS)-2-amino-5-ethyl-4-(fluoromethyl)-4a,5,7,7a-tetrahydrofuro[3,4-e][1,3]oxazin-4-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyrazine-2-carboxamide
CID 170720192
5-ethoxy-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazine-2-carboxamide;hydrochloride
CID 90133875
N-(5-amino-6,6-dimethyl-1,1-dioxospiro[2H-1,4-thiazine-3,8'-6,7-dihydro-5H-naphthalene]-2'-yl)-5-(2-fluoroethoxy)pyrazine-2-carboxamide
CID 123744808
N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(3-tributylstannylprop-2-ynoxy)pyrazine-2-carboxamide
CID 90100500
N-[3-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-4-fluorophenyl]-5-(3-tributylstannylprop-2-ynoxy)pyrazine-2-carboxamide
CID 90100501

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4aS,7aS)-2-amino-4,4a,6,7-tetrahydrofuro[3,2-d][1,3]oxazin-7a-yl]-4-phosphanylphenyl]-5-ethoxypyrazine-2-carboxamide?
The IUPAC name of N-[3-[(4aS,7aS)-2-amino-4,4a,6,7-tetrahydrofuro[3,2-d][1,3]oxazin-7a-yl]-4-phosphanylphenyl]-5-ethoxypyrazine-2-carboxamide (CID 144615578) is N-[3-[(4aS,7aS)-2-amino-4,4a,6,7-tetrahydrofuro[3,2-d][1,3]oxazin-7a-yl]-4-phosphanylphenyl]-5-ethoxypyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[(4aS,7aS)-2-amino-4,4a,6,7-tetrahydrofuro[3,2-d][1,3]oxazin-7a-yl]-4-phosphanylphenyl]-5-ethoxypyrazine-2-carboxamide?
The canonical SMILES for N-[3-[(4aS,7aS)-2-amino-4,4a,6,7-tetrahydrofuro[3,2-d][1,3]oxazin-7a-yl]-4-phosphanylphenyl]-5-ethoxypyrazine-2-carboxamide is CCOc1cnc(C(=O)Nc2ccc(P)c([C@@]34CCO[C@@H]3COC(N)=N4)c2)cn1.
What is the InChIKey of N-[3-[(4aS,7aS)-2-amino-4,4a,6,7-tetrahydrofuro[3,2-d][1,3]oxazin-7a-yl]-4-phosphanylphenyl]-5-ethoxypyrazine-2-carboxamide?
The InChIKey is JIKPFOJJPILVDK-BEFAXECRSA-N. The full InChI is InChI=1S/C19H22N5O4P/c1-2-26-16-9-21-13(8-22-16)17(25)23-11-3-4-14(29)12(7-11)19-5-6-27-15(19)10-28-18(20)24-19/h3-4,7-9,15H,2,5-6,10,29H2,1H3,(H2,20,24)(H,23,25)/t15-,19+/m1/s1.
What are the key properties of N-[3-[(4aS,7aS)-2-amino-4,4a,6,7-tetrahydrofuro[3,2-d][1,3]oxazin-7a-yl]-4-phosphanylphenyl]-5-ethoxypyrazine-2-carboxamide?
N-[3-[(4aS,7aS)-2-amino-4,4a,6,7-tetrahydrofuro[3,2-d][1,3]oxazin-7a-yl]-4-phosphanylphenyl]-5-ethoxypyrazine-2-carboxamide has a molecular weight of 415.39 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4aS,7aS)-2-amino-4,4a,6,7-tetrahydrofuro[3,2-d][1,3]oxazin-7a-yl]-4-phosphanylphenyl]-5-ethoxypyrazine-2-carboxamide is sourced from PubChem (CID 144615578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).