N-[3-(1H-imidazol-2-yl)phenyl]morpholine-3-carboxamide

C14H16N4O2 — CID 119871893

IUPACN-[3-(1H-imidazol-2-yl)phenyl]morpholine-3-carboxamide
SMILESO=C(Nc1cccc(-c2ncc[nH]2)c1)C1COCCN1
InChIInChI=1S/C14H16N4O2/c19-14(12-9-20-7-6-15-12)18-11-3-1-2-10(8-11)13-16-4-5-17-13/h1-5,8,12,15H,6-7,9H2,(H,16,17)(H,18,19)
InChIKeyPXORWVQCHWLLQY-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.00
Rot. Bonds3

About N-[3-(1H-imidazol-2-yl)phenyl]morpholine-3-carboxamide

N-[3-(1H-imidazol-2-yl)phenyl]morpholine-3-carboxamide (PubChem CID 119871893) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[3-(1H-imidazol-2-yl)phenyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-imidazol-2-yl)phenyl]morpholine-3-carboxamide
PubChem CID119871893
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-[3-(1H-imidazol-2-yl)phenyl]morpholine-3-carboxamide
SMILESO=C(Nc1cccc(-c2ncc[nH]2)c1)C1COCCN1
InChIInChI=1S/C14H16N4O2/c19-14(12-9-20-7-6-15-12)18-11-3-1-2-10(8-11)13-16-4-5-17-13/h1-5,8,12,15H,6-7,9H2,(H,16,17)(H,18,19)
InChIKeyPXORWVQCHWLLQY-UHFFFAOYSA-N
XLogP1.00
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(cyclopropanecarbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119710451
N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670415
N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 137028895
N-(3-carbamoylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119687667
(3S)-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide
CID 129372263
N-(3-pyridin-2-yloxyphenyl)morpholine-3-carboxamide
CID 119884828
N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119763577
cis-methyl (1R,2S)-2-[[3-(1H-imidazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylate
CID 96504504
N-(3-pyrazin-2-yloxyphenyl)morpholine-3-carboxamide
CID 119720300
N-(3-phenoxyphenyl)morpholine-3-carboxamide
CID 75422303
N-(3H-benzimidazol-5-yl)morpholine-3-carboxamide
CID 115177562
N-(3-ethylsulfanylphenyl)morpholine-3-carboxamide
CID 119787005

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-imidazol-2-yl)phenyl]morpholine-3-carboxamide?
The IUPAC name of N-[3-(1H-imidazol-2-yl)phenyl]morpholine-3-carboxamide (CID 119871893) is N-[3-(1H-imidazol-2-yl)phenyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[3-(1H-imidazol-2-yl)phenyl]morpholine-3-carboxamide?
The canonical SMILES for N-[3-(1H-imidazol-2-yl)phenyl]morpholine-3-carboxamide is O=C(Nc1cccc(-c2ncc[nH]2)c1)C1COCCN1.
What is the InChIKey of N-[3-(1H-imidazol-2-yl)phenyl]morpholine-3-carboxamide?
The InChIKey is PXORWVQCHWLLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c19-14(12-9-20-7-6-15-12)18-11-3-1-2-10(8-11)13-16-4-5-17-13/h1-5,8,12,15H,6-7,9H2,(H,16,17)(H,18,19).
What are the key properties of N-[3-(1H-imidazol-2-yl)phenyl]morpholine-3-carboxamide?
N-[3-(1H-imidazol-2-yl)phenyl]morpholine-3-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-imidazol-2-yl)phenyl]morpholine-3-carboxamide is sourced from PubChem (CID 119871893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).