N-[(2R)-1-(dipropylamino)propan-2-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide

C18H26N4O2 — CID 162647562

IUPACN-[(2R)-1-(dipropylamino)propan-2-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide
SMILESCCCN(CCC)C[C@@H](C)NC(=O)c1ccc(-c2ncon2)cc1
InChIInChI=1S/C18H26N4O2/c1-4-10-22(11-5-2)12-14(3)20-18(23)16-8-6-15(7-9-16)17-19-13-24-21-17/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,20,23)/t14-/m1/s1
InChIKeyHRPPPBKCIIMXSI-CQSZACIVSA-N
MW330.43 g/mol
LogP2.98
Rot. Bonds9

About N-[(2R)-1-(dipropylamino)propan-2-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide

N-[(2R)-1-(dipropylamino)propan-2-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide (PubChem CID 162647562) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[(2R)-1-(dipropylamino)propan-2-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide.

Molecular Properties

Compound NameN-[(2R)-1-(dipropylamino)propan-2-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide
PubChem CID162647562
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-[(2R)-1-(dipropylamino)propan-2-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide
SMILESCCCN(CCC)C[C@@H](C)NC(=O)c1ccc(-c2ncon2)cc1
InChIInChI=1S/C18H26N4O2/c1-4-10-22(11-5-2)12-14(3)20-18(23)16-8-6-15(7-9-16)17-19-13-24-21-17/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,20,23)/t14-/m1/s1
InChIKeyHRPPPBKCIIMXSI-CQSZACIVSA-N
XLogP2.98
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-methoxypropan-2-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 154835530
4-(1,2,4-oxadiazol-3-yl)-N-[(2S)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide
CID 97250958
N-(1-hydroxy-1-phenylpentan-2-yl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 166220419
N-[2-(ethylamino)ethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 119508201
N-(2-amino-2-methylpropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 119629350
N-(2-amino-2-methylpropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride
CID 119629349
2-ethyl-2-[[[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]butanoic acid
CID 120533257
N-(3-aminopropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 119407873
N-(3-amino-4-methylpentyl)-N-methyl-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride
CID 119660257
4-methyl-4-[[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]pentanoic acid
CID 119357421
1-N-butan-2-yl-4-N,4-N-dipropylbenzene-1,4-dicarboxamide
CID 109044096
N-[1-(dipentylamino)propan-2-yl]-2-ethylpyrazole-3-carboxamide
CID 19475353

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(dipropylamino)propan-2-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide?
The IUPAC name of N-[(2R)-1-(dipropylamino)propan-2-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide (CID 162647562) is N-[(2R)-1-(dipropylamino)propan-2-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide.
What is the SMILES notation for N-[(2R)-1-(dipropylamino)propan-2-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide?
The canonical SMILES for N-[(2R)-1-(dipropylamino)propan-2-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide is CCCN(CCC)C[C@@H](C)NC(=O)c1ccc(-c2ncon2)cc1.
What is the InChIKey of N-[(2R)-1-(dipropylamino)propan-2-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide?
The InChIKey is HRPPPBKCIIMXSI-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-4-10-22(11-5-2)12-14(3)20-18(23)16-8-6-15(7-9-16)17-19-13-24-21-17/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,20,23)/t14-/m1/s1.
What are the key properties of N-[(2R)-1-(dipropylamino)propan-2-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide?
N-[(2R)-1-(dipropylamino)propan-2-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide has a molecular weight of 330.43 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(dipropylamino)propan-2-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide is sourced from PubChem (CID 162647562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).