N-[(2R,5R)-6-amino-3,3,5-trifluoro-5-methylspiro[4H-pyridine-2,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-3'-yl]-3-methyl-1,2-oxazole-5-carboxamide

C18H17F3N4O2 — CID 126595528

IUPACN-[(2R,5R)-6-amino-3,3,5-trifluoro-5-methylspiro[4H-pyridine-2,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-3'-yl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3c(c2)[C@@]2(C3)N=C(N)[C@](C)(F)CC2(F)F)on1
InChIInChI=1S/C18H17F3N4O2/c1-9-5-13(27-25-9)14(26)23-11-4-3-10-7-17(12(10)6-11)18(20,21)8-16(2,19)15(22)24-17/h3-6H,7-8H2,1-2H3,(H2,22,24)(H,23,26)/t16-,17-/m1/s1
InChIKeyYNICXFMJOFFCKB-IAGOWNOFSA-N
MW378.35 g/mol
LogP3.11
Rot. Bonds2

About N-[(2R,5R)-6-amino-3,3,5-trifluoro-5-methylspiro[4H-pyridine-2,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-3'-yl]-3-methyl-1,2-oxazole-5-carboxamide

N-[(2R,5R)-6-amino-3,3,5-trifluoro-5-methylspiro[4H-pyridine-2,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-3'-yl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 126595528) has the molecular formula C18H17F3N4O2 and a molecular weight of 378.35 g/mol. Its IUPAC name is N-[(2R,5R)-6-amino-3,3,5-trifluoro-5-methylspiro[4H-pyridine-2,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-3'-yl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R,5R)-6-amino-3,3,5-trifluoro-5-methylspiro[4H-pyridine-2,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-3'-yl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID126595528
Molecular FormulaC18H17F3N4O2
Molecular Weight378.35 g/mol
Exact Mass378.13
IUPAC NameN-[(2R,5R)-6-amino-3,3,5-trifluoro-5-methylspiro[4H-pyridine-2,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-3'-yl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3c(c2)[C@@]2(C3)N=C(N)[C@](C)(F)CC2(F)F)on1
InChIInChI=1S/C18H17F3N4O2/c1-9-5-13(27-25-9)14(26)23-11-4-3-10-7-17(12(10)6-11)18(20,21)8-16(2,19)15(22)24-17/h3-6H,7-8H2,1-2H3,(H2,22,24)(H,23,26)/t16-,17-/m1/s1
InChIKeyYNICXFMJOFFCKB-IAGOWNOFSA-N
XLogP3.11
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2R,5R)-6-amino-3,3,5-trifluoro-5-methylspiro[4H-pyridine-2,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-3'-yl]-3-methyl-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

N-[3-(6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl)-4-fluorophenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 123752471
N-(1,3-dioxoisoindol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide
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N-(4-carbamoylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 21432228
N-[4-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 104954922
N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 118307972
N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 118307941
N-(3-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 16606648
N-(3-carbamothioyl-4-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 55057681
3-methyl-N-(4-methylsulfanylphenyl)-1,2-oxazole-5-carboxamide
CID 16880199
N-(4-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43911460
N-[3-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 63254601
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Frequently Asked Questions

What is the IUPAC name of N-[(2R,5R)-6-amino-3,3,5-trifluoro-5-methylspiro[4H-pyridine-2,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-3'-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(2R,5R)-6-amino-3,3,5-trifluoro-5-methylspiro[4H-pyridine-2,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-3'-yl]-3-methyl-1,2-oxazole-5-carboxamide (CID 126595528) is N-[(2R,5R)-6-amino-3,3,5-trifluoro-5-methylspiro[4H-pyridine-2,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-3'-yl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2R,5R)-6-amino-3,3,5-trifluoro-5-methylspiro[4H-pyridine-2,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-3'-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(2R,5R)-6-amino-3,3,5-trifluoro-5-methylspiro[4H-pyridine-2,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-3'-yl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2ccc3c(c2)[C@@]2(C3)N=C(N)[C@](C)(F)CC2(F)F)on1.
What is the InChIKey of N-[(2R,5R)-6-amino-3,3,5-trifluoro-5-methylspiro[4H-pyridine-2,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-3'-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is YNICXFMJOFFCKB-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H17F3N4O2/c1-9-5-13(27-25-9)14(26)23-11-4-3-10-7-17(12(10)6-11)18(20,21)8-16(2,19)15(22)24-17/h3-6H,7-8H2,1-2H3,(H2,22,24)(H,23,26)/t16-,17-/m1/s1.
What are the key properties of N-[(2R,5R)-6-amino-3,3,5-trifluoro-5-methylspiro[4H-pyridine-2,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-3'-yl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[(2R,5R)-6-amino-3,3,5-trifluoro-5-methylspiro[4H-pyridine-2,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-3'-yl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 378.35 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,5R)-6-amino-3,3,5-trifluoro-5-methylspiro[4H-pyridine-2,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-3'-yl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 126595528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).