N-[3-[[(Z)-2-(1,3-benzoxazol-2-yl)-3-oxoprop-1-enyl]amino]phenyl]acetamide

C18H15N3O3 — CID 1221509

IUPACN-[3-[[(Z)-2-(1,3-benzoxazol-2-yl)-3-oxoprop-1-enyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(N/C=C(\C=O)c2nc3ccccc3o2)c1
InChIInChI=1S/C18H15N3O3/c1-12(23)20-15-6-4-5-14(9-15)19-10-13(11-22)18-21-16-7-2-3-8-17(16)24-18/h2-11,19H,1H3,(H,20,23)/b13-10+
InChIKeyGNRNJFUGLZNHPF-JLHYYAGUSA-N
MW321.34 g/mol
LogP3.44
Rot. Bonds5

About N-[3-[[(Z)-2-(1,3-benzoxazol-2-yl)-3-oxoprop-1-enyl]amino]phenyl]acetamide

N-[3-[[(Z)-2-(1,3-benzoxazol-2-yl)-3-oxoprop-1-enyl]amino]phenyl]acetamide (PubChem CID 1221509) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-[3-[[(Z)-2-(1,3-benzoxazol-2-yl)-3-oxoprop-1-enyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[(Z)-2-(1,3-benzoxazol-2-yl)-3-oxoprop-1-enyl]amino]phenyl]acetamide
PubChem CID1221509
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC NameN-[3-[[(Z)-2-(1,3-benzoxazol-2-yl)-3-oxoprop-1-enyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(N/C=C(\C=O)c2nc3ccccc3o2)c1
InChIInChI=1S/C18H15N3O3/c1-12(23)20-15-6-4-5-14(9-15)19-10-13(11-22)18-21-16-7-2-3-8-17(16)24-18/h2-11,19H,1H3,(H,20,23)/b13-10+
InChIKeyGNRNJFUGLZNHPF-JLHYYAGUSA-N
XLogP3.44
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-(1,3-benzoxazol-2-yl)-3-[3-[[(E)-2-(1,3-benzoxazol-2-yl)-2-cyanoethenyl]amino]anilino]prop-2-enenitrile
CID 1115503
2-[[(Z)-2-(1,3-benzoxazol-2-yl)-3-oxoprop-1-enyl]amino]benzoic acid
CID 6282137
(Z)-2-(1,3-benzoxazol-2-yl)-3-hydroxyprop-2-enal
CID 2735197
2-(1,3-benzoxazol-2-yl)-3-(2-bromoanilino)prop-2-enal
CID 4569208
2-(1,3-benzoxazol-2-yl)-3-[(5-chloro-2-pyridinyl)amino]prop-2-enal
CID 836439
2-(1,3-benzoxazol-2-yl)-3-[(4-bromonaphthalen-1-yl)amino]prop-2-enal
CID 4148446
3-(4-acetylanilino)-2-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enal
CID 5243016
4-[[2-(1,3-benzoxazol-2-yl)-3-oxoprop-1-enyl]amino]-3-methoxy-N-(4-methylphenyl)benzenesulfonamide
CID 4162100
N-(3-acetamidophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 17428124
(E)-2-(5-chloro-1,3-benzoxazol-2-yl)-3-(2,3-dichloroanilino)prop-2-enal
CID 98430662
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
2-(5-chloro-1,3-benzoxazol-2-yl)-3-(pyridin-2-ylamino)prop-2-enal
CID 4132007

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(Z)-2-(1,3-benzoxazol-2-yl)-3-oxoprop-1-enyl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[(Z)-2-(1,3-benzoxazol-2-yl)-3-oxoprop-1-enyl]amino]phenyl]acetamide (CID 1221509) is N-[3-[[(Z)-2-(1,3-benzoxazol-2-yl)-3-oxoprop-1-enyl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[(Z)-2-(1,3-benzoxazol-2-yl)-3-oxoprop-1-enyl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[(Z)-2-(1,3-benzoxazol-2-yl)-3-oxoprop-1-enyl]amino]phenyl]acetamide is CC(=O)Nc1cccc(N/C=C(\C=O)c2nc3ccccc3o2)c1.
What is the InChIKey of N-[3-[[(Z)-2-(1,3-benzoxazol-2-yl)-3-oxoprop-1-enyl]amino]phenyl]acetamide?
The InChIKey is GNRNJFUGLZNHPF-JLHYYAGUSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-12(23)20-15-6-4-5-14(9-15)19-10-13(11-22)18-21-16-7-2-3-8-17(16)24-18/h2-11,19H,1H3,(H,20,23)/b13-10+.
What are the key properties of N-[3-[[(Z)-2-(1,3-benzoxazol-2-yl)-3-oxoprop-1-enyl]amino]phenyl]acetamide?
N-[3-[[(Z)-2-(1,3-benzoxazol-2-yl)-3-oxoprop-1-enyl]amino]phenyl]acetamide has a molecular weight of 321.34 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(Z)-2-(1,3-benzoxazol-2-yl)-3-oxoprop-1-enyl]amino]phenyl]acetamide is sourced from PubChem (CID 1221509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).