(2R)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(phenylcarbamoylamino)propanamide

C22H22ClN5O3 — CID 41153155

IUPAC(2R)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(phenylcarbamoylamino)propanamide
SMILESC[C@@H](NC(=O)Nc1ccccc1)C(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1
InChIInChI=1S/C22H22ClN5O3/c1-14(24-22(30)25-15-7-3-2-4-8-15)21(29)28(16-11-12-16)13-19-26-27-20(31-19)17-9-5-6-10-18(17)23/h2-10,14,16H,11-13H2,1H3,(H2,24,25,30)/t14-/m1/s1
InChIKeyXSIBDFGJDLWEPL-CQSZACIVSA-N
MW439.90 g/mol
LogP4.09
Rot. Bonds7

About (2R)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(phenylcarbamoylamino)propanamide

(2R)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(phenylcarbamoylamino)propanamide (PubChem CID 41153155) has the molecular formula C22H22ClN5O3 and a molecular weight of 439.90 g/mol. Its IUPAC name is (2R)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(phenylcarbamoylamino)propanamide.

Molecular Properties

Compound Name(2R)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(phenylcarbamoylamino)propanamide
PubChem CID41153155
Molecular FormulaC22H22ClN5O3
Molecular Weight439.90 g/mol
Exact Mass439.14
IUPAC Name(2R)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(phenylcarbamoylamino)propanamide
SMILESC[C@@H](NC(=O)Nc1ccccc1)C(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1
InChIInChI=1S/C22H22ClN5O3/c1-14(24-22(30)25-15-7-3-2-4-8-15)21(29)28(16-11-12-16)13-19-26-27-20(31-19)17-9-5-6-10-18(17)23/h2-10,14,16H,11-13H2,1H3,(H2,24,25,30)/t14-/m1/s1
InChIKeyXSIBDFGJDLWEPL-CQSZACIVSA-N
XLogP4.09
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.90
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylbenzamide
CID 4806431
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-propan-2-yloxybenzamide
CID 16557574
3,4,5,6-tetrachloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpyridine-2-carboxamide
CID 16557654
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(4-methylphenyl)sulfanylacetamide
CID 39731359
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(dimethylamino)benzamide
CID 16557614
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3,4-dimethoxybenzamide
CID 16557620
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 38132325
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-benzofuran-2-carboxamide
CID 8011669
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 16563402
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-methyl-2-nitrobenzamide
CID 16959909
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 55472994
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(2-methylmorpholin-4-yl)acetamide
CID 42929033

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(phenylcarbamoylamino)propanamide?
The IUPAC name of (2R)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(phenylcarbamoylamino)propanamide (CID 41153155) is (2R)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(phenylcarbamoylamino)propanamide.
What is the SMILES notation for (2R)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(phenylcarbamoylamino)propanamide?
The canonical SMILES for (2R)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(phenylcarbamoylamino)propanamide is C[C@@H](NC(=O)Nc1ccccc1)C(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1.
What is the InChIKey of (2R)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(phenylcarbamoylamino)propanamide?
The InChIKey is XSIBDFGJDLWEPL-CQSZACIVSA-N. The full InChI is InChI=1S/C22H22ClN5O3/c1-14(24-22(30)25-15-7-3-2-4-8-15)21(29)28(16-11-12-16)13-19-26-27-20(31-19)17-9-5-6-10-18(17)23/h2-10,14,16H,11-13H2,1H3,(H2,24,25,30)/t14-/m1/s1.
What are the key properties of (2R)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(phenylcarbamoylamino)propanamide?
(2R)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(phenylcarbamoylamino)propanamide has a molecular weight of 439.90 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(phenylcarbamoylamino)propanamide is sourced from PubChem (CID 41153155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).