N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-4-methyl-1,3-oxazole-5-carboxamide

C16H23N3O3 — CID 45168133

IUPACN-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NC1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C16H23N3O3/c1-11-15(22-10-17-11)16(21)18-12-8-14(20)19(9-12)13-6-4-2-3-5-7-13/h10,12-13H,2-9H2,1H3,(H,18,21)
InChIKeyXJHRFTQPQXAWFI-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.04
Rot. Bonds3

About N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-4-methyl-1,3-oxazole-5-carboxamide

N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 45168133) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID45168133
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NC1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C16H23N3O3/c1-11-15(22-10-17-11)16(21)18-12-8-14(20)19(9-12)13-6-4-2-3-5-7-13/h10,12-13H,2-9H2,1H3,(H,18,21)
InChIKeyXJHRFTQPQXAWFI-UHFFFAOYSA-N
XLogP2.04
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 71667510
N-{4-[(Dimethylamino)methyl]-1-methanesulfonylpyrrolidin-3-YL}-4-methyl-1,3-oxazole-5-carboxamide
CID 91923111
5-(4-Methyl-1,3-oxazole-5-carbonyl)-1,5-diazacycloundecan-2-one
CID 110201373
(8aR,11aS)-1-(4-methyl-1,3-oxazole-5-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
CID 110201554
5-({1-[(4-Methyl-1,3-oxazol-5-yl)carbonyl]-4-piperidyl}carbonyl)-1,5-diazacycloundecan-2-one
CID 110201698
4-(Methoxymethyl)-N-methyl-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-3-carboxamide
CID 110203571
2,4-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-oxazole-5-carboxamide
CID 77084474
N-(1-cycloheptyl-2-methylpropan-2-yl)-4-methyl-1,3-oxazole-5-carboxamide
CID 127987529
2-ethyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 70716391
4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide
CID 120810569
N-Cyclopropyl-4-fluoro-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-4-carboxamide
CID 124053404
N-(1-fluoropropan-2-yl)-4-methyl-1,3-oxazole-5-carboxamide
CID 130725745

Frequently Asked Questions

What is the IUPAC name of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-4-methyl-1,3-oxazole-5-carboxamide (CID 45168133) is N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-4-methyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)NC1CC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is XJHRFTQPQXAWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11-15(22-10-17-11)16(21)18-12-8-14(20)19(9-12)13-6-4-2-3-5-7-13/h10,12-13H,2-9H2,1H3,(H,18,21).
What are the key properties of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-4-methyl-1,3-oxazole-5-carboxamide?
N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 45168133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).