3-cyclopropyl-N-[(6-hydroxynaphthalen-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

C17H15N3O3 — CID 155963728

IUPAC3-cyclopropyl-N-[(6-hydroxynaphthalen-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCc1ccc2cc(O)ccc2c1)c1nc(C2CC2)no1
InChIInChI=1S/C17H15N3O3/c21-14-6-5-12-7-10(1-2-13(12)8-14)9-18-16(22)17-19-15(20-23-17)11-3-4-11/h1-2,5-8,11,21H,3-4,9H2,(H,18,22)
InChIKeyTWCQTTGARWVEHN-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.74
Rot. Bonds4

About 3-cyclopropyl-N-[(6-hydroxynaphthalen-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

3-cyclopropyl-N-[(6-hydroxynaphthalen-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 155963728) has the molecular formula C17H15N3O3 and a molecular weight of 309.32 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(6-hydroxynaphthalen-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[(6-hydroxynaphthalen-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID155963728
Molecular FormulaC17H15N3O3
Molecular Weight309.32 g/mol
Exact Mass309.11
IUPAC Name3-cyclopropyl-N-[(6-hydroxynaphthalen-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCc1ccc2cc(O)ccc2c1)c1nc(C2CC2)no1
InChIInChI=1S/C17H15N3O3/c21-14-6-5-12-7-10(1-2-13(12)8-14)9-18-16(22)17-19-15(20-23-17)11-3-4-11/h1-2,5-8,11,21H,3-4,9H2,(H,18,22)
InChIKeyTWCQTTGARWVEHN-UHFFFAOYSA-N
XLogP2.74
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
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N-(cyclopentylmethyl)-3-cyclopropyl-1,2,4-oxadiazole-5-carboxamide
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3-cyclopropyl-N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084072
3-cyclopropyl-N-[2-[(3-methoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
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3-cyclopropyl-N-[2-(4-methylphenoxy)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 126824030
3-cyclopropyl-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084115
3-cyclopropyl-N-[(2R)-2-[(3-cyclopropyl-1,2,4-oxadiazole-5-carbonyl)amino]-3-hydroxypropyl]-1,2,4-oxadiazole-5-carboxamide
CID 126832909
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenol
CID 63851274
3-cyclopropyl-N-[2-[(2-nitrobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084113
3-cyclohexyl-N-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083458
3-cyclohexyl-N-[2-[(3,4-diethoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083421
3-(4-phenylcyclohexyl)-1,2,4-oxadiazole-5-carboxamide
CID 139019188

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(6-hydroxynaphthalen-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[(6-hydroxynaphthalen-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (CID 155963728) is 3-cyclopropyl-N-[(6-hydroxynaphthalen-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[(6-hydroxynaphthalen-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[(6-hydroxynaphthalen-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is O=C(NCc1ccc2cc(O)ccc2c1)c1nc(C2CC2)no1.
What is the InChIKey of 3-cyclopropyl-N-[(6-hydroxynaphthalen-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is TWCQTTGARWVEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c21-14-6-5-12-7-10(1-2-13(12)8-14)9-18-16(22)17-19-15(20-23-17)11-3-4-11/h1-2,5-8,11,21H,3-4,9H2,(H,18,22).
What are the key properties of 3-cyclopropyl-N-[(6-hydroxynaphthalen-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
3-cyclopropyl-N-[(6-hydroxynaphthalen-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 309.32 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(6-hydroxynaphthalen-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 155963728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).