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

C19H21ClN2O2 — CID 122175421

IUPAC2-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2ccc(Cl)cc2)nc1C(=O)NCCC1=CCCCC1
InChIInChI=1S/C19H21ClN2O2/c1-13-17(18(23)21-12-11-14-5-3-2-4-6-14)22-19(24-13)15-7-9-16(20)10-8-15/h5,7-10H,2-4,6,11-12H2,1H3,(H,21,23)
InChIKeyMQTUNDHMPJREBV-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.92
Rot. Bonds5

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

2-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 122175421) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID122175421
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name2-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2ccc(Cl)cc2)nc1C(=O)NCCC1=CCCCC1
InChIInChI=1S/C19H21ClN2O2/c1-13-17(18(23)21-12-11-14-5-3-2-4-6-14)22-19(24-13)15-7-9-16(20)10-8-15/h5,7-10H,2-4,6,11-12H2,1H3,(H,21,23)
InChIKeyMQTUNDHMPJREBV-UHFFFAOYSA-N
XLogP4.92
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 20860483
N-[2-(cyclohexen-1-yl)ethyl]-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
CID 20916665
4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 20917007
2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 46262678
N-[2-(cyclohexen-1-yl)ethyl]-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 110849144
N-[2-(cyclohexen-1-yl)ethyl]-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide
CID 20860045
5-chloro-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide
CID 29413921
4-N-[(4-chlorophenyl)methyl]-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide
CID 109045014
2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835962
6-[(4-chlorophenyl)methylamino]-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109364541
N-[2-(cyclohexen-1-yl)ethyl]-2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide
CID 4174347
2-(4-chlorophenyl)-N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]acetamide
CID 112991074

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide (CID 122175421) is 2-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide is Cc1oc(-c2ccc(Cl)cc2)nc1C(=O)NCCC1=CCCCC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is MQTUNDHMPJREBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-13-17(18(23)21-12-11-14-5-3-2-4-6-14)22-19(24-13)15-7-9-16(20)10-8-15/h5,7-10H,2-4,6,11-12H2,1H3,(H,21,23).
What are the key properties of 2-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide?
2-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 344.84 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 122175421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).