N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-propan-2-ylphenoxy)propanamide

C18H23N3O3 — CID 51095182

IUPACN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-propan-2-ylphenoxy)propanamide
SMILESCC(C)c1ccc(OCCC(=O)NCc2nc(C3CC3)no2)cc1
InChIInChI=1S/C18H23N3O3/c1-12(2)13-5-7-15(8-6-13)23-10-9-16(22)19-11-17-20-18(21-24-17)14-3-4-14/h5-8,12,14H,3-4,9-11H2,1-2H3,(H,19,22)
InChIKeyKKHFTECELJWJAT-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.16
Rot. Bonds8

About N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-propan-2-ylphenoxy)propanamide

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-propan-2-ylphenoxy)propanamide (PubChem CID 51095182) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-propan-2-ylphenoxy)propanamide
PubChem CID51095182
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-propan-2-ylphenoxy)propanamide
SMILESCC(C)c1ccc(OCCC(=O)NCc2nc(C3CC3)no2)cc1
InChIInChI=1S/C18H23N3O3/c1-12(2)13-5-7-15(8-6-13)23-10-9-16(22)19-11-17-20-18(21-24-17)14-3-4-14/h5-8,12,14H,3-4,9-11H2,1-2H3,(H,19,22)
InChIKeyKKHFTECELJWJAT-UHFFFAOYSA-N
XLogP3.16
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]urea
CID 94650251
(1S)-1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 63364095
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 17358710
N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55662648
2-(4-fluorophenoxy)ethyl 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoate
CID 71868554
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide
CID 90602103
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 55891990
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenoxypropanamide
CID 110323125
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 55949270
N-[(2R)-2-(ethylamino)propyl]-3-(4-propan-2-ylphenoxy)propanamide
CID 120654775
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
CID 43473114
N-[[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 61495910

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-propan-2-ylphenoxy)propanamide (CID 51095182) is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-propan-2-ylphenoxy)propanamide is CC(C)c1ccc(OCCC(=O)NCc2nc(C3CC3)no2)cc1.
What is the InChIKey of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-propan-2-ylphenoxy)propanamide?
The InChIKey is KKHFTECELJWJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12(2)13-5-7-15(8-6-13)23-10-9-16(22)19-11-17-20-18(21-24-17)14-3-4-14/h5-8,12,14H,3-4,9-11H2,1-2H3,(H,19,22).
What are the key properties of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-propan-2-ylphenoxy)propanamide?
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-propan-2-ylphenoxy)propanamide has a molecular weight of 329.40 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 51095182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).