N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

C19H18N2O4 — CID 51929771

IUPACN-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc([C@@H](NC(=O)c2cc(-c3ccco3)on2)C2CC2)cc1
InChIInChI=1S/C19H18N2O4/c1-23-14-8-6-13(7-9-14)18(12-4-5-12)20-19(22)15-11-17(25-21-15)16-3-2-10-24-16/h2-3,6-12,18H,4-5H2,1H3,(H,20,22)/t18-/m0/s1
InChIKeyHFMCAHUNUDCILS-SFHVURJKSA-N
MW338.36 g/mol
LogP3.82
Rot. Bonds6

About N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 51929771) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID51929771
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc([C@@H](NC(=O)c2cc(-c3ccco3)on2)C2CC2)cc1
InChIInChI=1S/C19H18N2O4/c1-23-14-8-6-13(7-9-14)18(12-4-5-12)20-19(22)15-11-17(25-21-15)16-3-2-10-24-16/h2-3,6-12,18H,4-5H2,1H3,(H,20,22)/t18-/m0/s1
InChIKeyHFMCAHUNUDCILS-SFHVURJKSA-N
XLogP3.82
TPSA77.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 51929771) is N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is COc1ccc([C@@H](NC(=O)c2cc(-c3ccco3)on2)C2CC2)cc1.
What is the InChIKey of N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is HFMCAHUNUDCILS-SFHVURJKSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-23-14-8-6-13(7-9-14)18(12-4-5-12)20-19(22)15-11-17(25-21-15)16-3-2-10-24-16/h2-3,6-12,18H,4-5H2,1H3,(H,20,22)/t18-/m0/s1.
What are the key properties of N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 51929771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).