[2-(cyclohexylmethyl)pyrrolidin-1-yl]-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone

C20H30N2O3 — CID 127894473

IUPAC[2-(cyclohexylmethyl)pyrrolidin-1-yl]-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone
SMILESO=C(c1coc(C2CCOCC2)n1)N1CCCC1CC1CCCCC1
InChIInChI=1S/C20H30N2O3/c23-20(18-14-25-19(21-18)16-8-11-24-12-9-16)22-10-4-7-17(22)13-15-5-2-1-3-6-15/h14-17H,1-13H2
InChIKeyNFIPFMSFPGVDAW-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.14
Rot. Bonds4

About [2-(cyclohexylmethyl)pyrrolidin-1-yl]-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone

[2-(cyclohexylmethyl)pyrrolidin-1-yl]-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone (PubChem CID 127894473) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is [2-(cyclohexylmethyl)pyrrolidin-1-yl]-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name[2-(cyclohexylmethyl)pyrrolidin-1-yl]-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone
PubChem CID127894473
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name[2-(cyclohexylmethyl)pyrrolidin-1-yl]-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone
SMILESO=C(c1coc(C2CCOCC2)n1)N1CCCC1CC1CCCCC1
InChIInChI=1S/C20H30N2O3/c23-20(18-14-25-19(21-18)16-8-11-24-12-9-16)22-10-4-7-17(22)13-15-5-2-1-3-6-15/h14-17H,1-13H2
InChIKeyNFIPFMSFPGVDAW-UHFFFAOYSA-N
XLogP4.14
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(cyclohexylmethyl)pyrrolidin-1-yl]-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone with MolForge

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Related Compounds

2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone
CID 127895119
2-(cyclohexylmethyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide
CID 71881607
6-[(2R)-2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile
CID 97210921
2-(oxolan-3-yl)-1,3-oxazole-4-carboxylic acid
CID 62234864
[1-[2-(cyclopropylmethyl)-1,3-oxazole-4-carbonyl]piperidin-2-yl]methyl morpholine-4-carboxylate
CID 126812872
[2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-[(2S)-2-(2-methylpropyl)azepan-1-yl]methanone
CID 124626454
2-cyclobutyl-1,3-oxazole-4-carboxylic acid
CID 53399655
3-(2-chlorophenyl)-4-[2-(oxan-4-yl)-1,3-oxazole-4-carbonyl]piperazin-2-one
CID 102561958
(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone
CID 127907855
N-(cyclopropylmethyl)-2-(oxan-4-yl)-N-propyl-1,3-oxazole-4-carboxamide
CID 127893601
2-(cyclohexylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 48953190
2-[2-(oxan-4-yl)-1,3-oxazol-4-yl]acetic acid
CID 115027242

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylmethyl)pyrrolidin-1-yl]-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone?
The IUPAC name of [2-(cyclohexylmethyl)pyrrolidin-1-yl]-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone (CID 127894473) is [2-(cyclohexylmethyl)pyrrolidin-1-yl]-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for [2-(cyclohexylmethyl)pyrrolidin-1-yl]-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone?
The canonical SMILES for [2-(cyclohexylmethyl)pyrrolidin-1-yl]-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone is O=C(c1coc(C2CCOCC2)n1)N1CCCC1CC1CCCCC1.
What is the InChIKey of [2-(cyclohexylmethyl)pyrrolidin-1-yl]-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone?
The InChIKey is NFIPFMSFPGVDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c23-20(18-14-25-19(21-18)16-8-11-24-12-9-16)22-10-4-7-17(22)13-15-5-2-1-3-6-15/h14-17H,1-13H2.
What are the key properties of [2-(cyclohexylmethyl)pyrrolidin-1-yl]-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone?
[2-(cyclohexylmethyl)pyrrolidin-1-yl]-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone has a molecular weight of 346.47 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylmethyl)pyrrolidin-1-yl]-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 127894473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).