2-butyl-N-[(2S)-2-hydroxybutyl]-1,3-benzoxazole-5-carboxamide

C16H22N2O3 — CID 42360414

IUPAC2-butyl-N-[(2S)-2-hydroxybutyl]-1,3-benzoxazole-5-carboxamide
SMILESCCCCc1nc2cc(C(=O)NC[C@@H](O)CC)ccc2o1
InChIInChI=1S/C16H22N2O3/c1-3-5-6-15-18-13-9-11(7-8-14(13)21-15)16(20)17-10-12(19)4-2/h7-9,12,19H,3-6,10H2,1-2H3,(H,17,20)/t12-/m0/s1
InChIKeyCECTZINOGMFEFG-LBPRGKRZSA-N
MW290.36 g/mol
LogP2.67
Rot. Bonds7

About 2-butyl-N-[(2S)-2-hydroxybutyl]-1,3-benzoxazole-5-carboxamide

2-butyl-N-[(2S)-2-hydroxybutyl]-1,3-benzoxazole-5-carboxamide (PubChem CID 42360414) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-butyl-N-[(2S)-2-hydroxybutyl]-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name2-butyl-N-[(2S)-2-hydroxybutyl]-1,3-benzoxazole-5-carboxamide
PubChem CID42360414
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-butyl-N-[(2S)-2-hydroxybutyl]-1,3-benzoxazole-5-carboxamide
SMILESCCCCc1nc2cc(C(=O)NC[C@@H](O)CC)ccc2o1
InChIInChI=1S/C16H22N2O3/c1-3-5-6-15-18-13-9-11(7-8-14(13)21-15)16(20)17-10-12(19)4-2/h7-9,12,19H,3-6,10H2,1-2H3,(H,17,20)/t12-/m0/s1
InChIKeyCECTZINOGMFEFG-LBPRGKRZSA-N
XLogP2.67
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-[(2S)-2-hydroxybutyl]-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 2-butyl-N-[(2S)-2-hydroxybutyl]-1,3-benzoxazole-5-carboxamide (CID 42360414) is 2-butyl-N-[(2S)-2-hydroxybutyl]-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 2-butyl-N-[(2S)-2-hydroxybutyl]-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 2-butyl-N-[(2S)-2-hydroxybutyl]-1,3-benzoxazole-5-carboxamide is CCCCc1nc2cc(C(=O)NC[C@@H](O)CC)ccc2o1.
What is the InChIKey of 2-butyl-N-[(2S)-2-hydroxybutyl]-1,3-benzoxazole-5-carboxamide?
The InChIKey is CECTZINOGMFEFG-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-5-6-15-18-13-9-11(7-8-14(13)21-15)16(20)17-10-12(19)4-2/h7-9,12,19H,3-6,10H2,1-2H3,(H,17,20)/t12-/m0/s1.
What are the key properties of 2-butyl-N-[(2S)-2-hydroxybutyl]-1,3-benzoxazole-5-carboxamide?
2-butyl-N-[(2S)-2-hydroxybutyl]-1,3-benzoxazole-5-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-[(2S)-2-hydroxybutyl]-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 42360414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).