3-[2-(benzylamino)-2-oxoethyl]-N-(3-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide

C15H18N4O4 — CID 45491121

IUPAC3-[2-(benzylamino)-2-oxoethyl]-N-(3-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(Cc1noc(C(=O)NCCCO)n1)NCc1ccccc1
InChIInChI=1S/C15H18N4O4/c20-8-4-7-16-14(22)15-18-12(19-23-15)9-13(21)17-10-11-5-2-1-3-6-11/h1-3,5-6,20H,4,7-10H2,(H,16,22)(H,17,21)
InChIKeySYTIHQRDHICXAQ-UHFFFAOYSA-N
MW318.33 g/mol
LogP0.04
Rot. Bonds8

About 3-[2-(benzylamino)-2-oxoethyl]-N-(3-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide

3-[2-(benzylamino)-2-oxoethyl]-N-(3-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 45491121) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is 3-[2-(benzylamino)-2-oxoethyl]-N-(3-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-(benzylamino)-2-oxoethyl]-N-(3-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID45491121
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Name3-[2-(benzylamino)-2-oxoethyl]-N-(3-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(Cc1noc(C(=O)NCCCO)n1)NCc1ccccc1
InChIInChI=1S/C15H18N4O4/c20-8-4-7-16-14(22)15-18-12(19-23-15)9-13(21)17-10-11-5-2-1-3-6-11/h1-3,5-6,20H,4,7-10H2,(H,16,22)(H,17,21)
InChIKeySYTIHQRDHICXAQ-UHFFFAOYSA-N
XLogP0.04
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)acetamide
CID 75494074
3-[2-(benzylamino)-2-oxoethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 45490962
3-(2-anilino-2-oxoethyl)-N-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 39332959
N-benzyl-2-[5-(1-phenylcyclobutyl)-1,2,4-oxadiazol-3-yl]acetamide
CID 71980384
3-(1H-indol-3-ylmethyl)-N-(2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 42569344
N-benzyl-2-[5-[(1-hydroxycyclohexyl)methyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 75506736
1-benzyl-3-(3-hydroxypropyl)urea
CID 11298735
3-(2-anilino-2-oxoethyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 39036188
3-(2-anilino-2-oxoethyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide
CID 39339684
N-benzyl-2-[5-(5-cyclopropyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]acetamide
CID 71876926
3-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 5299617
N-benzyl-2-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 39528331

Frequently Asked Questions

What is the IUPAC name of 3-[2-(benzylamino)-2-oxoethyl]-N-(3-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[2-(benzylamino)-2-oxoethyl]-N-(3-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide (CID 45491121) is 3-[2-(benzylamino)-2-oxoethyl]-N-(3-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[2-(benzylamino)-2-oxoethyl]-N-(3-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[2-(benzylamino)-2-oxoethyl]-N-(3-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide is O=C(Cc1noc(C(=O)NCCCO)n1)NCc1ccccc1.
What is the InChIKey of 3-[2-(benzylamino)-2-oxoethyl]-N-(3-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is SYTIHQRDHICXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4/c20-8-4-7-16-14(22)15-18-12(19-23-15)9-13(21)17-10-11-5-2-1-3-6-11/h1-3,5-6,20H,4,7-10H2,(H,16,22)(H,17,21).
What are the key properties of 3-[2-(benzylamino)-2-oxoethyl]-N-(3-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide?
3-[2-(benzylamino)-2-oxoethyl]-N-(3-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 318.33 g/mol, XLogP of 0.04, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(benzylamino)-2-oxoethyl]-N-(3-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 45491121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).