N-(4-methoxy-1,2-benzoxazol-3-yl)oxane-4-carboxamide

C14H16N2O4 — CID 42545362

IUPACN-(4-methoxy-1,2-benzoxazol-3-yl)oxane-4-carboxamide
SMILESCOc1cccc2onc(NC(=O)C3CCOCC3)c12
InChIInChI=1S/C14H16N2O4/c1-18-10-3-2-4-11-12(10)13(16-20-11)15-14(17)9-5-7-19-8-6-9/h2-4,9H,5-8H2,1H3,(H,15,16,17)
InChIKeyPWCKZQDTDYTKDV-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.20
Rot. Bonds3

About N-(4-methoxy-1,2-benzoxazol-3-yl)oxane-4-carboxamide

N-(4-methoxy-1,2-benzoxazol-3-yl)oxane-4-carboxamide (PubChem CID 42545362) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is N-(4-methoxy-1,2-benzoxazol-3-yl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-1,2-benzoxazol-3-yl)oxane-4-carboxamide
PubChem CID42545362
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC NameN-(4-methoxy-1,2-benzoxazol-3-yl)oxane-4-carboxamide
SMILESCOc1cccc2onc(NC(=O)C3CCOCC3)c12
InChIInChI=1S/C14H16N2O4/c1-18-10-3-2-4-11-12(10)13(16-20-11)15-14(17)9-5-7-19-8-6-9/h2-4,9H,5-8H2,1H3,(H,15,16,17)
InChIKeyPWCKZQDTDYTKDV-UHFFFAOYSA-N
XLogP2.20
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzamide
CID 67407982
1-[4-(diethylamino)phenyl]-3-(4-methoxy-1,2-benzoxazol-3-yl)-1-sulfanylurea
CID 87432888
N-(4-amino-2-methoxyphenyl)oxane-4-carboxamide
CID 53410709
N-(3-chloro-4-methoxyphenyl)oxane-4-carboxamide
CID 31963649
N-(2-carbamothioyl-6-methoxyphenyl)oxolane-3-carboxamide
CID 107468521
N-[2,6-di(propan-2-yl)phenyl]oxane-4-carboxamide
CID 31962742
N-(5-methyl-1,2-oxazol-3-yl)oxane-4-carboxamide
CID 110690048
N-[(R)-(2-methoxyphenyl)-phenylmethyl]oxane-4-carboxamide
CID 95616816
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
N-[4-(4-chloro-2,5-dimethoxyanilino)phenyl]oxane-4-carboxamide
CID 112989722
N-(2,3-dimethylphenyl)oxane-4-carboxamide
CID 31962553
N-(3-methoxy-2-pyridinyl)azetidine-3-carboxamide
CID 142435308

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-1,2-benzoxazol-3-yl)oxane-4-carboxamide?
The IUPAC name of N-(4-methoxy-1,2-benzoxazol-3-yl)oxane-4-carboxamide (CID 42545362) is N-(4-methoxy-1,2-benzoxazol-3-yl)oxane-4-carboxamide.
What is the SMILES notation for N-(4-methoxy-1,2-benzoxazol-3-yl)oxane-4-carboxamide?
The canonical SMILES for N-(4-methoxy-1,2-benzoxazol-3-yl)oxane-4-carboxamide is COc1cccc2onc(NC(=O)C3CCOCC3)c12.
What is the InChIKey of N-(4-methoxy-1,2-benzoxazol-3-yl)oxane-4-carboxamide?
The InChIKey is PWCKZQDTDYTKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-18-10-3-2-4-11-12(10)13(16-20-11)15-14(17)9-5-7-19-8-6-9/h2-4,9H,5-8H2,1H3,(H,15,16,17).
What are the key properties of N-(4-methoxy-1,2-benzoxazol-3-yl)oxane-4-carboxamide?
N-(4-methoxy-1,2-benzoxazol-3-yl)oxane-4-carboxamide has a molecular weight of 276.29 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-1,2-benzoxazol-3-yl)oxane-4-carboxamide is sourced from PubChem (CID 42545362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).