4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(R)-[(1R,2R)-2-methylcyclopropyl]-phenylmethyl]butanamide

C20H25N3O2 — CID 99846634

IUPAC4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(R)-[(1R,2R)-2-methylcyclopropyl]-phenylmethyl]butanamide
SMILESC[C@@H]1C[C@H]1[C@@H](NC(=O)CCCc1nc(C2CC2)no1)c1ccccc1
InChIInChI=1S/C20H25N3O2/c1-13-12-16(13)19(14-6-3-2-4-7-14)21-17(24)8-5-9-18-22-20(23-25-18)15-10-11-15/h2-4,6-7,13,15-16,19H,5,8-12H2,1H3,(H,21,24)/t13-,16-,19+/m1/s1
InChIKeyPUVPXGOXJCHVGP-NRXGSXMXSA-N
MW339.44 g/mol
LogP3.78
Rot. Bonds8

About 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(R)-[(1R,2R)-2-methylcyclopropyl]-phenylmethyl]butanamide

4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(R)-[(1R,2R)-2-methylcyclopropyl]-phenylmethyl]butanamide (PubChem CID 99846634) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(R)-[(1R,2R)-2-methylcyclopropyl]-phenylmethyl]butanamide.

Molecular Properties

Compound Name4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(R)-[(1R,2R)-2-methylcyclopropyl]-phenylmethyl]butanamide
PubChem CID99846634
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(R)-[(1R,2R)-2-methylcyclopropyl]-phenylmethyl]butanamide
SMILESC[C@@H]1C[C@H]1[C@@H](NC(=O)CCCc1nc(C2CC2)no1)c1ccccc1
InChIInChI=1S/C20H25N3O2/c1-13-12-16(13)19(14-6-3-2-4-7-14)21-17(24)8-5-9-18-22-20(23-25-18)15-10-11-15/h2-4,6-7,13,15-16,19H,5,8-12H2,1H3,(H,21,24)/t13-,16-,19+/m1/s1
InChIKeyPUVPXGOXJCHVGP-NRXGSXMXSA-N
XLogP3.78
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(R)-[(1R,2R)-2-methylcyclopropyl]-phenylmethyl]butanamide with MolForge

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Related Compounds

N-(2-amino-2-phenylethyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119528258
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide
CID 110004468
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[4-methyl-1-[(1R)-1-phenylethyl]pyrazol-3-yl]butanamide
CID 124735491
N-[4-[[(S)-[(1R,2R)-2-methylcyclopropyl]-phenylmethyl]amino]-4-oxobutyl]cyclopropanecarboxamide
CID 97214050
N-[4-[[(R)-[(1R,2R)-2-methylcyclopropyl]-phenylmethyl]amino]-4-oxobutyl]cyclopropanecarboxamide
CID 99846342
2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylbutanoic acid
CID 119199076
2-chloro-4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]benzoic acid
CID 119178934
(2S)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-phenylacetic acid
CID 119372360
5-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]thiophene-2-carboxylic acid
CID 122110561
N-(1-amino-2-methylpropan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119522706
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanamide
CID 110004207
N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]aniline
CID 54924305

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(R)-[(1R,2R)-2-methylcyclopropyl]-phenylmethyl]butanamide?
The IUPAC name of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(R)-[(1R,2R)-2-methylcyclopropyl]-phenylmethyl]butanamide (CID 99846634) is 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(R)-[(1R,2R)-2-methylcyclopropyl]-phenylmethyl]butanamide.
What is the SMILES notation for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(R)-[(1R,2R)-2-methylcyclopropyl]-phenylmethyl]butanamide?
The canonical SMILES for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(R)-[(1R,2R)-2-methylcyclopropyl]-phenylmethyl]butanamide is C[C@@H]1C[C@H]1[C@@H](NC(=O)CCCc1nc(C2CC2)no1)c1ccccc1.
What is the InChIKey of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(R)-[(1R,2R)-2-methylcyclopropyl]-phenylmethyl]butanamide?
The InChIKey is PUVPXGOXJCHVGP-NRXGSXMXSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-13-12-16(13)19(14-6-3-2-4-7-14)21-17(24)8-5-9-18-22-20(23-25-18)15-10-11-15/h2-4,6-7,13,15-16,19H,5,8-12H2,1H3,(H,21,24)/t13-,16-,19+/m1/s1.
What are the key properties of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(R)-[(1R,2R)-2-methylcyclopropyl]-phenylmethyl]butanamide?
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(R)-[(1R,2R)-2-methylcyclopropyl]-phenylmethyl]butanamide has a molecular weight of 339.44 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(R)-[(1R,2R)-2-methylcyclopropyl]-phenylmethyl]butanamide is sourced from PubChem (CID 99846634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).