4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)-N-(oxolan-2-ylmethyl)butanamide

C16H18N2O5 — CID 110344679

IUPAC4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)-N-(oxolan-2-ylmethyl)butanamide
SMILESO=C(CCC(=O)c1ccc2[nH]c(=O)oc2c1)NCC1CCCO1
InChIInChI=1S/C16H18N2O5/c19-13(5-6-15(20)17-9-11-2-1-7-22-11)10-3-4-12-14(8-10)23-16(21)18-12/h3-4,8,11H,1-2,5-7,9H2,(H,17,20)(H,18,21)
InChIKeyCNWVJRHDNVSHLB-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.38
Rot. Bonds6

About 4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)-N-(oxolan-2-ylmethyl)butanamide

4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)-N-(oxolan-2-ylmethyl)butanamide (PubChem CID 110344679) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is 4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)-N-(oxolan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)-N-(oxolan-2-ylmethyl)butanamide
PubChem CID110344679
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)-N-(oxolan-2-ylmethyl)butanamide
SMILESO=C(CCC(=O)c1ccc2[nH]c(=O)oc2c1)NCC1CCCO1
InChIInChI=1S/C16H18N2O5/c19-13(5-6-15(20)17-9-11-2-1-7-22-11)10-3-4-12-14(8-10)23-16(21)18-12/h3-4,8,11H,1-2,5-7,9H2,(H,17,20)(H,18,21)
InChIKeyCNWVJRHDNVSHLB-UHFFFAOYSA-N
XLogP1.38
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-oxo-N-(oxolan-2-ylmethyl)-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanamide
CID 21108323
4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4-thiophen-2-ylbutanamide
CID 2530381
4-(2,5-dimethylphenyl)-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 94102322
N-(4-ethylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
CID 110344752
4-oxo-N-(oxolan-2-ylmethyl)-4-(4-propoxyphenyl)butanamide
CID 78774490
N-(3-fluorophenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
CID 110344778
5-(oxolan-2-ylmethylamino)-3H-1,3-benzoxazol-2-one
CID 82835738
6-[2-(propan-2-ylamino)acetyl]-3H-1,3-benzoxazol-2-one
CID 13038881
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 3830051
N'-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenylethyl)butanediamide
CID 7303399
4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-(oxolan-2-ylmethyl)butanamide
CID 3686336
3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 53174855

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)-N-(oxolan-2-ylmethyl)butanamide?
The IUPAC name of 4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)-N-(oxolan-2-ylmethyl)butanamide (CID 110344679) is 4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)-N-(oxolan-2-ylmethyl)butanamide.
What is the SMILES notation for 4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)-N-(oxolan-2-ylmethyl)butanamide?
The canonical SMILES for 4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)-N-(oxolan-2-ylmethyl)butanamide is O=C(CCC(=O)c1ccc2[nH]c(=O)oc2c1)NCC1CCCO1.
What is the InChIKey of 4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)-N-(oxolan-2-ylmethyl)butanamide?
The InChIKey is CNWVJRHDNVSHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c19-13(5-6-15(20)17-9-11-2-1-7-22-11)10-3-4-12-14(8-10)23-16(21)18-12/h3-4,8,11H,1-2,5-7,9H2,(H,17,20)(H,18,21).
What are the key properties of 4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)-N-(oxolan-2-ylmethyl)butanamide?
4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)-N-(oxolan-2-ylmethyl)butanamide has a molecular weight of 318.33 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)-N-(oxolan-2-ylmethyl)butanamide is sourced from PubChem (CID 110344679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).