N-[2-(cyclopropylamino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide

C18H21N3O3 — CID 18163915

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)NCC(=O)NC3CC3)o2)cc1
InChIInChI=1S/C18H21N3O3/c1-12-2-4-13(5-3-12)15-10-20-18(24-15)9-8-16(22)19-11-17(23)21-14-6-7-14/h2-5,10,14H,6-9,11H2,1H3,(H,19,22)(H,21,23)
InChIKeyROITYWHYZSJDIV-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.98
Rot. Bonds7

About N-[2-(cyclopropylamino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide

N-[2-(cyclopropylamino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 18163915) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID18163915
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)NCC(=O)NC3CC3)o2)cc1
InChIInChI=1S/C18H21N3O3/c1-12-2-4-13(5-3-12)15-10-20-18(24-15)9-8-16(22)19-11-17(23)21-14-6-7-14/h2-5,10,14H,6-9,11H2,1H3,(H,19,22)(H,21,23)
InChIKeyROITYWHYZSJDIV-UHFFFAOYSA-N
XLogP1.98
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxycyclohexyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 110882855
N-(4-methylcyclohexyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 18136349
N-[2-(cyclopropylamino)-2-oxoethyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 8964239
N-(2-methylcyclohexyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 24640348
N-[2-(2-ethylanilino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 41331644
5-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid
CID 119235078
N-[2-(methylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119499834
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 18136013
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide
CID 55951696
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(piperidin-3-ylmethyl)propanamide
CID 119459738
N-(2-amino-2-methylpropyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119625668
N-(1-methylpiperidin-4-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 30901827

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide (CID 18163915) is N-[2-(cyclopropylamino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide is Cc1ccc(-c2cnc(CCC(=O)NCC(=O)NC3CC3)o2)cc1.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is ROITYWHYZSJDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-2-4-13(5-3-12)15-10-20-18(24-15)9-8-16(22)19-11-17(23)21-14-6-7-14/h2-5,10,14H,6-9,11H2,1H3,(H,19,22)(H,21,23).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 327.38 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 18163915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).