2-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C15H23N3O3S — CID 51166172

IUPAC2-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCCN(CC1CC1)C(=O)CSCC(=O)Nc1cc(C)on1
InChIInChI=1S/C15H23N3O3S/c1-3-6-18(8-12-4-5-12)15(20)10-22-9-14(19)16-13-7-11(2)21-17-13/h7,12H,3-6,8-10H2,1-2H3,(H,16,17,19)
InChIKeyRQPACTNUWPWCOH-UHFFFAOYSA-N
MW325.43 g/mol
LogP2.30
Rot. Bonds9

About 2-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 51166172) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 2-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID51166172
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name2-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCCN(CC1CC1)C(=O)CSCC(=O)Nc1cc(C)on1
InChIInChI=1S/C15H23N3O3S/c1-3-6-18(8-12-4-5-12)15(20)10-22-9-14(19)16-13-7-11(2)21-17-13/h7,12H,3-6,8-10H2,1-2H3,(H,16,17,19)
InChIKeyRQPACTNUWPWCOH-UHFFFAOYSA-N
XLogP2.30
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[propyl(pyrrolidin-3-yl)amino]ethyl]sulfanylacetamide
CID 119533077
N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide
CID 4169989
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propylcyclobutanecarboxamide
CID 3357458
N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclobutanecarboxamide
CID 814628
N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclopentanecarboxamide
CID 814627
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-(2-methylpentan-2-ylamino)-2-oxoethyl]sulfanylacetamide
CID 49416422
2-[(2-chloroacetyl)-(cyclohexylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42770361
N-(2,6-difluorophenyl)-2-[ethyl-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]acetamide
CID 24981231
2-[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 35615784
2-[2-[cyclopropyl-[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 94642953
2-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 119381694
2-[cyclohexylmethyl-(2-methoxyacetyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42770388

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 51166172) is 2-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCCN(CC1CC1)C(=O)CSCC(=O)Nc1cc(C)on1.
What is the InChIKey of 2-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is RQPACTNUWPWCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-3-6-18(8-12-4-5-12)15(20)10-22-9-14(19)16-13-7-11(2)21-17-13/h7,12H,3-6,8-10H2,1-2H3,(H,16,17,19).
What are the key properties of 2-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 325.43 g/mol, XLogP of 2.30, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 51166172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).