3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S,3R)-3-(thiomorpholine-4-carbonyl)cyclopentyl]propanamide

C18H27N3O3S — CID 133131591

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S,3R)-3-(thiomorpholine-4-carbonyl)cyclopentyl]propanamide
SMILESCc1noc(C)c1CCC(=O)N[C@H]1CC[C@@H](C(=O)N2CCSCC2)C1
InChIInChI=1S/C18H27N3O3S/c1-12-16(13(2)24-20-12)5-6-17(22)19-15-4-3-14(11-15)18(23)21-7-9-25-10-8-21/h14-15H,3-11H2,1-2H3,(H,19,22)/t14-,15+/m1/s1
InChIKeyHQQQPHBSBPMGQK-CABCVRRESA-N
MW365.50 g/mol
LogP2.08
Rot. Bonds5

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S,3R)-3-(thiomorpholine-4-carbonyl)cyclopentyl]propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S,3R)-3-(thiomorpholine-4-carbonyl)cyclopentyl]propanamide (PubChem CID 133131591) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S,3R)-3-(thiomorpholine-4-carbonyl)cyclopentyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S,3R)-3-(thiomorpholine-4-carbonyl)cyclopentyl]propanamide
PubChem CID133131591
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S,3R)-3-(thiomorpholine-4-carbonyl)cyclopentyl]propanamide
SMILESCc1noc(C)c1CCC(=O)N[C@H]1CC[C@@H](C(=O)N2CCSCC2)C1
InChIInChI=1S/C18H27N3O3S/c1-12-16(13(2)24-20-12)5-6-17(22)19-15-4-3-14(11-15)18(23)21-7-9-25-10-8-21/h14-15H,3-11H2,1-2H3,(H,19,22)/t14-,15+/m1/s1
InChIKeyHQQQPHBSBPMGQK-CABCVRRESA-N
XLogP2.08
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S,3R)-3-(thiomorpholine-4-carbonyl)cyclopentyl]propanamide with MolForge

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Related Compounds

3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 66032108
cis-(1S,3R)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120675637
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-hydroxycyclohexyl)propanamide
CID 43389662
N-(3,3-dimethylcyclopentyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 115880663
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
CID 94991534
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methylsulfonylpiperidin-3-yl)propanamide
CID 47909658
1-(cyclopropanecarbonyl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]piperidine-4-carboxamide
CID 72871515
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide
CID 91626361
N-cyclopropyl-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidine-2-carboxamide
CID 86924416
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide
CID 86772376
N-[(3R)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 42393803
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]propanamide
CID 45211347

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S,3R)-3-(thiomorpholine-4-carbonyl)cyclopentyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S,3R)-3-(thiomorpholine-4-carbonyl)cyclopentyl]propanamide (CID 133131591) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S,3R)-3-(thiomorpholine-4-carbonyl)cyclopentyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S,3R)-3-(thiomorpholine-4-carbonyl)cyclopentyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S,3R)-3-(thiomorpholine-4-carbonyl)cyclopentyl]propanamide is Cc1noc(C)c1CCC(=O)N[C@H]1CC[C@@H](C(=O)N2CCSCC2)C1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S,3R)-3-(thiomorpholine-4-carbonyl)cyclopentyl]propanamide?
The InChIKey is HQQQPHBSBPMGQK-CABCVRRESA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-12-16(13(2)24-20-12)5-6-17(22)19-15-4-3-14(11-15)18(23)21-7-9-25-10-8-21/h14-15H,3-11H2,1-2H3,(H,19,22)/t14-,15+/m1/s1.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S,3R)-3-(thiomorpholine-4-carbonyl)cyclopentyl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S,3R)-3-(thiomorpholine-4-carbonyl)cyclopentyl]propanamide has a molecular weight of 365.50 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S,3R)-3-(thiomorpholine-4-carbonyl)cyclopentyl]propanamide is sourced from PubChem (CID 133131591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).