N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide

C23H25N5O2 — CID 55937351

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1ccc(-c2nnc(CCC(=O)N[C@H](c3nc4ccccc4[nH]3)C(C)C)o2)cc1
InChIInChI=1S/C23H25N5O2/c1-14(2)21(22-24-17-6-4-5-7-18(17)25-22)26-19(29)12-13-20-27-28-23(30-20)16-10-8-15(3)9-11-16/h4-11,14,21H,12-13H2,1-3H3,(H,24,25)(H,26,29)/t21-/m0/s1
InChIKeyDPZDSYFVJAHLQO-NRFANRHFSA-N
MW403.49 g/mol
LogP4.37
Rot. Bonds7

About N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 55937351) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID55937351
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1ccc(-c2nnc(CCC(=O)N[C@H](c3nc4ccccc4[nH]3)C(C)C)o2)cc1
InChIInChI=1S/C23H25N5O2/c1-14(2)21(22-24-17-6-4-5-7-18(17)25-22)26-19(29)12-13-20-27-28-23(30-20)16-10-8-15(3)9-11-16/h4-11,14,21H,12-13H2,1-3H3,(H,24,25)(H,26,29)/t21-/m0/s1
InChIKeyDPZDSYFVJAHLQO-NRFANRHFSA-N
XLogP4.37
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 51205905
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]butanamide
CID 47100277
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 134044563
N-[1-(4-chlorophenyl)-2-methylpropyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 24600996
3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]propanamide;dihydrochloride
CID 119854046
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2456813
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 18092734
2-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide
CID 119854033
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 18121491
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 73420210
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(1-pyridin-2-ylethyl)propanamide
CID 24645445
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16596271

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 55937351) is N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is Cc1ccc(-c2nnc(CCC(=O)N[C@H](c3nc4ccccc4[nH]3)C(C)C)o2)cc1.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is DPZDSYFVJAHLQO-NRFANRHFSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-14(2)21(22-24-17-6-4-5-7-18(17)25-22)26-19(29)12-13-20-27-28-23(30-20)16-10-8-15(3)9-11-16/h4-11,14,21H,12-13H2,1-3H3,(H,24,25)(H,26,29)/t21-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 403.49 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 55937351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).