N,N-dicyclohexyl-5-(diethylaminomethyl)-1,2-oxazole-3-carboxamide

C21H35N3O2 — CID 56955976

IUPACN,N-dicyclohexyl-5-(diethylaminomethyl)-1,2-oxazole-3-carboxamide
SMILESCCN(CC)Cc1cc(C(=O)N(C2CCCCC2)C2CCCCC2)no1
InChIInChI=1S/C21H35N3O2/c1-3-23(4-2)16-19-15-20(22-26-19)21(25)24(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h15,17-18H,3-14,16H2,1-2H3
InChIKeyUGMBPQHGUJGEPE-UHFFFAOYSA-N
MW361.53 g/mol
LogP4.62
Rot. Bonds7

About N,N-dicyclohexyl-5-(diethylaminomethyl)-1,2-oxazole-3-carboxamide

N,N-dicyclohexyl-5-(diethylaminomethyl)-1,2-oxazole-3-carboxamide (PubChem CID 56955976) has the molecular formula C21H35N3O2 and a molecular weight of 361.53 g/mol. Its IUPAC name is N,N-dicyclohexyl-5-(diethylaminomethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-5-(diethylaminomethyl)-1,2-oxazole-3-carboxamide
PubChem CID56955976
Molecular FormulaC21H35N3O2
Molecular Weight361.53 g/mol
Exact Mass361.27
IUPAC NameN,N-dicyclohexyl-5-(diethylaminomethyl)-1,2-oxazole-3-carboxamide
SMILESCCN(CC)Cc1cc(C(=O)N(C2CCCCC2)C2CCCCC2)no1
InChIInChI=1S/C21H35N3O2/c1-3-23(4-2)16-19-15-20(22-26-19)21(25)24(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h15,17-18H,3-14,16H2,1-2H3
InChIKeyUGMBPQHGUJGEPE-UHFFFAOYSA-N
XLogP4.62
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N,N-dicyclohexyl-1,2-oxazole-3-carboxamide;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 56965820
N,N-dicyclohexyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 17253281
tert-butyl N-[[3-(dicyclohexylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamate
CID 56965834
N-cyclohexyl-5-cyclopropyl-N-(4-propylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 56973396
5-[[cyclohexanecarbonyl(cyclopentyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 23792491
3-[cyclopentyl(ethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369216
N-cycloheptyl-N-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 56760301
5-[[ethyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 61397882
N,N-dicyclohexyl-5-[5-(2-hydroxyethyl)furan-3-yl]-1,2-oxazole-3-carboxamide
CID 66545717
5-[[1,3-benzodioxole-5-carbonyl(cyclopentyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 23768938
N,N-dicyclohexyl-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 57339499
5-[[ethyl(2-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 79478057

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-5-(diethylaminomethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N,N-dicyclohexyl-5-(diethylaminomethyl)-1,2-oxazole-3-carboxamide (CID 56955976) is N,N-dicyclohexyl-5-(diethylaminomethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N,N-dicyclohexyl-5-(diethylaminomethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N,N-dicyclohexyl-5-(diethylaminomethyl)-1,2-oxazole-3-carboxamide is CCN(CC)Cc1cc(C(=O)N(C2CCCCC2)C2CCCCC2)no1.
What is the InChIKey of N,N-dicyclohexyl-5-(diethylaminomethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is UGMBPQHGUJGEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O2/c1-3-23(4-2)16-19-15-20(22-26-19)21(25)24(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h15,17-18H,3-14,16H2,1-2H3.
What are the key properties of N,N-dicyclohexyl-5-(diethylaminomethyl)-1,2-oxazole-3-carboxamide?
N,N-dicyclohexyl-5-(diethylaminomethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 361.53 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-5-(diethylaminomethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56955976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).