N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclopropanecarboxamide

C18H14N2O3 — CID 977986

IUPACN-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1)C1CC1
InChIInChI=1S/C18H14N2O3/c21-16(11-5-6-11)19-13-9-7-12(8-10-13)17-20-15-4-2-1-3-14(15)18(22)23-17/h1-4,7-11H,5-6H2,(H,19,21)
InChIKeyUZUZBTWVOBUBRB-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.20
Rot. Bonds3

About N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclopropanecarboxamide

N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclopropanecarboxamide (PubChem CID 977986) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclopropanecarboxamide
PubChem CID977986
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC NameN-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1)C1CC1
InChIInChI=1S/C18H14N2O3/c21-16(11-5-6-11)19-13-9-7-12(8-10-13)17-20-15-4-2-1-3-14(15)18(22)23-17/h1-4,7-11H,5-6H2,(H,19,21)
InChIKeyUZUZBTWVOBUBRB-UHFFFAOYSA-N
XLogP3.20
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclohexanecarboxamide
CID 839397
N-[4-(1,3-benzoxazol-2-yl)phenyl]cyclohexanecarboxamide
CID 777186
CID 68568728
CID 68568728
2-naphthalen-1-yl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
CID 17359810
N-[4-(4-acetyl-2-phenyl-1,3-oxazol-5-yl)phenyl]cyclopropanecarboxamide
CID 142162557
2-naphthalen-1-yloxy-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
CID 17359817
2-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]pentanamide
CID 17359918
(2S)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-2-phenylbutanamide
CID 7374034
(2R)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]oxolane-2-carboxamide
CID 27234711
N-[4-[6-[2-(4-acetamidophenyl)-4-oxo-3,1-benzoxazin-6-yl]-4-oxo-3,1-benzoxazin-2-yl]phenyl]acetamide
CID 1381906
N-[4-[5-(cyclohexanecarbonylamino)-1,3-benzoxazol-2-yl]phenyl]cyclohexanecarboxamide
CID 1092407
N-[4-[4-(1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]cyclobutanecarboxamide
CID 10155316

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclopropanecarboxamide (CID 977986) is N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclopropanecarboxamide is O=C(Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1)C1CC1.
What is the InChIKey of N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclopropanecarboxamide?
The InChIKey is UZUZBTWVOBUBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c21-16(11-5-6-11)19-13-9-7-12(8-10-13)17-20-15-4-2-1-3-14(15)18(22)23-17/h1-4,7-11H,5-6H2,(H,19,21).
What are the key properties of N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclopropanecarboxamide?
N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclopropanecarboxamide has a molecular weight of 306.32 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 977986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).