2-(2-chlorophenyl)-5-(3-methoxypropylamino)-1,3-oxazole-4-carbonitrile

C14H14ClN3O2 — CID 2192066

IUPAC2-(2-chlorophenyl)-5-(3-methoxypropylamino)-1,3-oxazole-4-carbonitrile
SMILESCOCCCNc1oc(-c2ccccc2Cl)nc1C#N
InChIInChI=1S/C14H14ClN3O2/c1-19-8-4-7-17-14-12(9-16)18-13(20-14)10-5-2-3-6-11(10)15/h2-3,5-6,17H,4,7-8H2,1H3
InChIKeyLRIRSUOVEOCOQR-UHFFFAOYSA-N
MW291.74 g/mol
LogP3.32
Rot. Bonds6

About 2-(2-chlorophenyl)-5-(3-methoxypropylamino)-1,3-oxazole-4-carbonitrile

2-(2-chlorophenyl)-5-(3-methoxypropylamino)-1,3-oxazole-4-carbonitrile (PubChem CID 2192066) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-(3-methoxypropylamino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-(3-methoxypropylamino)-1,3-oxazole-4-carbonitrile
PubChem CID2192066
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name2-(2-chlorophenyl)-5-(3-methoxypropylamino)-1,3-oxazole-4-carbonitrile
SMILESCOCCCNc1oc(-c2ccccc2Cl)nc1C#N
InChIInChI=1S/C14H14ClN3O2/c1-19-8-4-7-17-14-12(9-16)18-13(20-14)10-5-2-3-6-11(10)15/h2-3,5-6,17H,4,7-8H2,1H3
InChIKeyLRIRSUOVEOCOQR-UHFFFAOYSA-N
XLogP3.32
TPSA71.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(3-methoxypropyl)-1,3-oxazol-5-amine
CID 18826632
2-(3,5-dichloro-2-hydroxyphenyl)-5-(2-methoxyethylamino)-1,3-oxazole-4-carbonitrile
CID 172675740
3-[[4-cyano-2-(2-methoxyphenyl)-1,3-oxazol-5-yl]amino]propyl-diethylazanium
CID 2014794
2-(2-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methylamino]-1,3-oxazole-4-carbonitrile
CID 891806
2-(3,5-dichloro-2-methylphenyl)-5-[2-(2-methoxyethoxy)ethylamino]-1,3-oxazole-4-carbonitrile
CID 167469616
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methoxypropan-1-amine
CID 110652114
2-(2-methoxyphenyl)-5-(2-morpholin-4-ium-4-ylethylamino)-1,3-oxazole-4-carbonitrile
CID 7587606
3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methoxypropyl)propanamide
CID 110334461
4-[4-cyano-5-(2-methoxyethylamino)-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide
CID 16646185
2-(3-methoxyphenyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile
CID 73254074
2-methoxyethyl N-[4-cyano-2-(2,3,5-trichlorophenyl)-1,3-oxazol-5-yl]carbamate
CID 167469608
4-[4-cyano-5-(2-methoxyethylamino)-1,3-oxazol-2-yl]-N,N-diethylbenzenesulfonamide
CID 16646235

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-(3-methoxypropylamino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(2-chlorophenyl)-5-(3-methoxypropylamino)-1,3-oxazole-4-carbonitrile (CID 2192066) is 2-(2-chlorophenyl)-5-(3-methoxypropylamino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(2-chlorophenyl)-5-(3-methoxypropylamino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(2-chlorophenyl)-5-(3-methoxypropylamino)-1,3-oxazole-4-carbonitrile is COCCCNc1oc(-c2ccccc2Cl)nc1C#N.
What is the InChIKey of 2-(2-chlorophenyl)-5-(3-methoxypropylamino)-1,3-oxazole-4-carbonitrile?
The InChIKey is LRIRSUOVEOCOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-19-8-4-7-17-14-12(9-16)18-13(20-14)10-5-2-3-6-11(10)15/h2-3,5-6,17H,4,7-8H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-5-(3-methoxypropylamino)-1,3-oxazole-4-carbonitrile?
2-(2-chlorophenyl)-5-(3-methoxypropylamino)-1,3-oxazole-4-carbonitrile has a molecular weight of 291.74 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-(3-methoxypropylamino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 2192066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).