N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide

C22H29N3O3 — CID 118780237

IUPACN-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
SMILESCOc1ccc(-c2cc(CNC(=O)C3(N4CCCC4)CCCCC3)no2)cc1
InChIInChI=1S/C22H29N3O3/c1-27-19-9-7-17(8-10-19)20-15-18(24-28-20)16-23-21(26)22(11-3-2-4-12-22)25-13-5-6-14-25/h7-10,15H,2-6,11-14,16H2,1H3,(H,23,26)
InChIKeyOLZGQMWHRNIIFD-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.77
Rot. Bonds6

About N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide

N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide (PubChem CID 118780237) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
PubChem CID118780237
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
SMILESCOc1ccc(-c2cc(CNC(=O)C3(N4CCCC4)CCCCC3)no2)cc1
InChIInChI=1S/C22H29N3O3/c1-27-19-9-7-17(8-10-19)20-15-18(24-28-20)16-23-21(26)22(11-3-2-4-12-22)25-13-5-6-14-25/h7-10,15H,2-6,11-14,16H2,1H3,(H,23,26)
InChIKeyOLZGQMWHRNIIFD-UHFFFAOYSA-N
XLogP3.77
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 122556200
5-(4-methoxyphenyl)-N-[[1-(piperidin-1-ylmethyl)cyclopropyl]methyl]-1,2-oxazole-3-carboxamide
CID 91957229
4-methoxy-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866605
N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 16867196
N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 91836336
2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-propan-2-ylacetamide
CID 16879102
(4-methoxyphenyl)-(1-piperidin-1-ylcyclopentyl)methanone
CID 79057208
N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-naphthalen-2-yloxyacetamide
CID 16867168
N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(tetrazol-1-yl)propanamide
CID 122559962
5-(4-methoxyphenyl)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 45133034
5-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 39868246
5-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 50754362

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide?
The IUPAC name of N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide (CID 118780237) is N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide is COc1ccc(-c2cc(CNC(=O)C3(N4CCCC4)CCCCC3)no2)cc1.
What is the InChIKey of N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide?
The InChIKey is OLZGQMWHRNIIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-27-19-9-7-17(8-10-19)20-15-18(24-28-20)16-23-21(26)22(11-3-2-4-12-22)25-13-5-6-14-25/h7-10,15H,2-6,11-14,16H2,1H3,(H,23,26).
What are the key properties of N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide?
N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 118780237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).