N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide

C15H17N3O3 — CID 146364184

IUPACN-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide
SMILESO=C(N[C@H]1CCN(C2CC2)C1)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C15H17N3O3/c19-14(16-10-5-6-18(8-10)11-2-3-11)9-1-4-12-13(7-9)21-15(20)17-12/h1,4,7,10-11H,2-3,5-6,8H2,(H,16,19)(H,17,20)/t10-/m0/s1
InChIKeyCKDGMILHIUGWAJ-JTQLQIEISA-N
MW287.32 g/mol
LogP1.09
Rot. Bonds3

About N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide

N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide (PubChem CID 146364184) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide
PubChem CID146364184
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide
SMILESO=C(N[C@H]1CCN(C2CC2)C1)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C15H17N3O3/c19-14(16-10-5-6-18(8-10)11-2-3-11)9-1-4-12-13(7-9)21-15(20)17-12/h1,4,7,10-11H,2-3,5-6,8H2,(H,16,19)(H,17,20)/t10-/m0/s1
InChIKeyCKDGMILHIUGWAJ-JTQLQIEISA-N
XLogP1.09
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide (CID 146364184) is N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide is O=C(N[C@H]1CCN(C2CC2)C1)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide?
The InChIKey is CKDGMILHIUGWAJ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17N3O3/c19-14(16-10-5-6-18(8-10)11-2-3-11)9-1-4-12-13(7-9)21-15(20)17-12/h1,4,7,10-11H,2-3,5-6,8H2,(H,16,19)(H,17,20)/t10-/m0/s1.
What are the key properties of N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide?
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 146364184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).