N-[2-(cyclohexen-1-yl)ethyl]-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide

C27H29N3O3 — CID 53122930

IUPACN-[2-(cyclohexen-1-yl)ethyl]-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide
SMILESCCN(C(=O)c1ccccc1-c1ocnc1C(=O)NCCC1=CCCCC1)c1ccccc1
InChIInChI=1S/C27H29N3O3/c1-2-30(21-13-7-4-8-14-21)27(32)23-16-10-9-15-22(23)25-24(29-19-33-25)26(31)28-18-17-20-11-5-3-6-12-20/h4,7-11,13-16,19H,2-3,5-6,12,17-18H2,1H3,(H,28,31)
InChIKeyNPEUWGYOWZZBGI-UHFFFAOYSA-N
MW443.55 g/mol
LogP5.63
Rot. Bonds8

About N-[2-(cyclohexen-1-yl)ethyl]-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 53122930) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide
PubChem CID53122930
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide
SMILESCCN(C(=O)c1ccccc1-c1ocnc1C(=O)NCCC1=CCCCC1)c1ccccc1
InChIInChI=1S/C27H29N3O3/c1-2-30(21-13-7-4-8-14-21)27(32)23-16-10-9-15-22(23)25-24(29-19-33-25)26(31)28-18-17-20-11-5-3-6-12-20/h4,7-11,13-16,19H,2-3,5-6,12,17-18H2,1H3,(H,28,31)
InChIKeyNPEUWGYOWZZBGI-UHFFFAOYSA-N
XLogP5.63
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide
CID 53122915
N-[2-(cyclohexen-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 110689201
5-[2-[ethyl(phenyl)carbamoyl]phenyl]-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 53122944
6-[2-(cyclohexen-1-yl)ethylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide
CID 109113559
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109132824
N-[2-(cyclohexen-1-yl)ethyl]-6-(N-ethylanilino)pyridazine-3-carboxamide
CID 109113669
N-ethyl-N-phenyl-2-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,3-oxazol-5-yl]benzamide
CID 53011665
6-[2-(cyclohexen-1-yl)ethylamino]-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109364480
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835623
N-[2-(cyclohexen-1-yl)ethyl]-3-(N-ethylanilino)propanamide
CID 109014714
N-[2-(cyclohexen-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377844
N-[2-(cyclohexen-1-yl)ethyl]-3-hydroxypyridine-2-carboxamide
CID 113229799

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide (CID 53122930) is N-[2-(cyclohexen-1-yl)ethyl]-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide is CCN(C(=O)c1ccccc1-c1ocnc1C(=O)NCCC1=CCCCC1)c1ccccc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is NPEUWGYOWZZBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-2-30(21-13-7-4-8-14-21)27(32)23-16-10-9-15-22(23)25-24(29-19-33-25)26(31)28-18-17-20-11-5-3-6-12-20/h4,7-11,13-16,19H,2-3,5-6,12,17-18H2,1H3,(H,28,31).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 5.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53122930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).