(2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]propanamide

C16H19N3O5 — CID 126444906

IUPAC(2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]propanamide
SMILESC[C@@H](C(=O)NCCN1CCCOC1=O)n1c(=O)oc2ccccc21
InChIInChI=1S/C16H19N3O5/c1-11(19-12-5-2-3-6-13(12)24-16(19)22)14(20)17-7-9-18-8-4-10-23-15(18)21/h2-3,5-6,11H,4,7-10H2,1H3,(H,17,20)/t11-/m0/s1
InChIKeyHMMQTHRVRAHLIW-NSHDSACASA-N
MW333.34 g/mol
LogP1.11
Rot. Bonds5

About (2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]propanamide

(2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]propanamide (PubChem CID 126444906) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is (2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]propanamide
PubChem CID126444906
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name(2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]propanamide
SMILESC[C@@H](C(=O)NCCN1CCCOC1=O)n1c(=O)oc2ccccc21
InChIInChI=1S/C16H19N3O5/c1-11(19-12-5-2-3-6-13(12)24-16(19)22)14(20)17-7-9-18-8-4-10-23-15(18)21/h2-3,5-6,11H,4,7-10H2,1H3,(H,17,20)/t11-/m0/s1
InChIKeyHMMQTHRVRAHLIW-NSHDSACASA-N
XLogP1.11
TPSA93.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 60601414
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
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(2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 95165771
3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzoxazol-2-one
CID 42898184
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 55746512
N-[3-(benzimidazol-1-yl)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 75866987
3-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1,3-benzoxazol-2-one
CID 18886776
N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 24611150
N-[2-(1H-indol-3-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 17465860
N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 55710464
N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]acetamide
CID 110872096
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 119059181

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]propanamide?
The IUPAC name of (2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]propanamide (CID 126444906) is (2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]propanamide?
The canonical SMILES for (2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]propanamide is C[C@@H](C(=O)NCCN1CCCOC1=O)n1c(=O)oc2ccccc21.
What is the InChIKey of (2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]propanamide?
The InChIKey is HMMQTHRVRAHLIW-NSHDSACASA-N. The full InChI is InChI=1S/C16H19N3O5/c1-11(19-12-5-2-3-6-13(12)24-16(19)22)14(20)17-7-9-18-8-4-10-23-15(18)21/h2-3,5-6,11H,4,7-10H2,1H3,(H,17,20)/t11-/m0/s1.
What are the key properties of (2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]propanamide?
(2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]propanamide has a molecular weight of 333.34 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]propanamide is sourced from PubChem (CID 126444906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).