[(3aR,6R,7aR)-3-[4-[(4-methoxyphenyl)methyl]-3-oxopyrido[3,2-b][1,4]oxazin-6-yl]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]carbamic acid

C23H24N4O7 — CID 130303532

IUPAC[(3aR,6R,7aR)-3-[4-[(4-methoxyphenyl)methyl]-3-oxopyrido[3,2-b][1,4]oxazin-6-yl]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]carbamic acid
SMILESCOc1ccc(CN2C(=O)COc3ccc(N4C(=O)O[C@@H]5C[C@H](NC(=O)O)CC[C@H]54)nc32)cc1
InChIInChI=1S/C23H24N4O7/c1-32-15-5-2-13(3-6-15)11-26-20(28)12-33-17-8-9-19(25-21(17)26)27-16-7-4-14(24-22(29)30)10-18(16)34-23(27)31/h2-3,5-6,8-9,14,16,18,24H,4,7,10-12H2,1H3,(H,29,30)/t14-,16-,18-/m1/s1
InChIKeyLKAYZCFTOSYPDN-QGPMSJSTSA-N
MW468.47 g/mol
LogP2.53
Rot. Bonds5

About [(3aR,6R,7aR)-3-[4-[(4-methoxyphenyl)methyl]-3-oxopyrido[3,2-b][1,4]oxazin-6-yl]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]carbamic acid

[(3aR,6R,7aR)-3-[4-[(4-methoxyphenyl)methyl]-3-oxopyrido[3,2-b][1,4]oxazin-6-yl]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]carbamic acid (PubChem CID 130303532) has the molecular formula C23H24N4O7 and a molecular weight of 468.47 g/mol. Its IUPAC name is [(3aR,6R,7aR)-3-[4-[(4-methoxyphenyl)methyl]-3-oxopyrido[3,2-b][1,4]oxazin-6-yl]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]carbamic acid.

Molecular Properties

Compound Name[(3aR,6R,7aR)-3-[4-[(4-methoxyphenyl)methyl]-3-oxopyrido[3,2-b][1,4]oxazin-6-yl]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]carbamic acid
PubChem CID130303532
Molecular FormulaC23H24N4O7
Molecular Weight468.47 g/mol
Exact Mass468.16
IUPAC Name[(3aR,6R,7aR)-3-[4-[(4-methoxyphenyl)methyl]-3-oxopyrido[3,2-b][1,4]oxazin-6-yl]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]carbamic acid
SMILESCOc1ccc(CN2C(=O)COc3ccc(N4C(=O)O[C@@H]5C[C@H](NC(=O)O)CC[C@H]54)nc32)cc1
InChIInChI=1S/C23H24N4O7/c1-32-15-5-2-13(3-6-15)11-26-20(28)12-33-17-8-9-19(25-21(17)26)27-16-7-4-14(24-22(29)30)10-18(16)34-23(27)31/h2-3,5-6,8-9,14,16,18,24H,4,7,10-12H2,1H3,(H,29,30)/t14-,16-,18-/m1/s1
InChIKeyLKAYZCFTOSYPDN-QGPMSJSTSA-N
XLogP2.53
TPSA130.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.47
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(3aR,6R,7aR)-3-[4-[(4-methoxyphenyl)methyl]-3-oxopyrido[3,2-b][1,4]oxazin-6-yl]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]carbamic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aR,6R,7aR)-3-[4-[(4-methoxyphenyl)methyl]-3-oxopyrido[3,2-b][1,4]oxazin-6-yl]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]carbamic acid?
The IUPAC name of [(3aR,6R,7aR)-3-[4-[(4-methoxyphenyl)methyl]-3-oxopyrido[3,2-b][1,4]oxazin-6-yl]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]carbamic acid (CID 130303532) is [(3aR,6R,7aR)-3-[4-[(4-methoxyphenyl)methyl]-3-oxopyrido[3,2-b][1,4]oxazin-6-yl]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]carbamic acid.
What is the SMILES notation for [(3aR,6R,7aR)-3-[4-[(4-methoxyphenyl)methyl]-3-oxopyrido[3,2-b][1,4]oxazin-6-yl]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]carbamic acid?
The canonical SMILES for [(3aR,6R,7aR)-3-[4-[(4-methoxyphenyl)methyl]-3-oxopyrido[3,2-b][1,4]oxazin-6-yl]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]carbamic acid is COc1ccc(CN2C(=O)COc3ccc(N4C(=O)O[C@@H]5C[C@H](NC(=O)O)CC[C@H]54)nc32)cc1.
What is the InChIKey of [(3aR,6R,7aR)-3-[4-[(4-methoxyphenyl)methyl]-3-oxopyrido[3,2-b][1,4]oxazin-6-yl]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]carbamic acid?
The InChIKey is LKAYZCFTOSYPDN-QGPMSJSTSA-N. The full InChI is InChI=1S/C23H24N4O7/c1-32-15-5-2-13(3-6-15)11-26-20(28)12-33-17-8-9-19(25-21(17)26)27-16-7-4-14(24-22(29)30)10-18(16)34-23(27)31/h2-3,5-6,8-9,14,16,18,24H,4,7,10-12H2,1H3,(H,29,30)/t14-,16-,18-/m1/s1.
What are the key properties of [(3aR,6R,7aR)-3-[4-[(4-methoxyphenyl)methyl]-3-oxopyrido[3,2-b][1,4]oxazin-6-yl]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]carbamic acid?
[(3aR,6R,7aR)-3-[4-[(4-methoxyphenyl)methyl]-3-oxopyrido[3,2-b][1,4]oxazin-6-yl]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]carbamic acid has a molecular weight of 468.47 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6R,7aR)-3-[4-[(4-methoxyphenyl)methyl]-3-oxopyrido[3,2-b][1,4]oxazin-6-yl]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]carbamic acid is sourced from PubChem (CID 130303532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).