N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide

C15H16N4O3 — CID 97237661

IUPACN-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCCOc1cccc2cc([C@H](C)NC(=O)c3ncn[nH]3)oc12
InChIInChI=1S/C15H16N4O3/c1-3-21-11-6-4-5-10-7-12(22-13(10)11)9(2)18-15(20)14-16-8-17-19-14/h4-9H,3H2,1-2H3,(H,18,20)(H,16,17,19)/t9-/m0/s1
InChIKeyHYPMZARRBXUQBW-VIFPVBQESA-N
MW300.32 g/mol
LogP2.44
Rot. Bonds5

About N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide

N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 97237661) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID97237661
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC NameN-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCCOc1cccc2cc([C@H](C)NC(=O)c3ncn[nH]3)oc12
InChIInChI=1S/C15H16N4O3/c1-3-21-11-6-4-5-10-7-12(22-13(10)11)9(2)18-15(20)14-16-8-17-19-14/h4-9H,3H2,1-2H3,(H,18,20)(H,16,17,19)/t9-/m0/s1
InChIKeyHYPMZARRBXUQBW-VIFPVBQESA-N
XLogP2.44
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 39968255
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-methoxybenzamide
CID 60607084
4-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pentanamide
CID 120559371
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-fluoroprop-2-enamide
CID 166417291
2-bromo-N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-5-fluorobenzamide
CID 25468831
ethyl 6-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylate
CID 55633376
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperidine-4-carboxamide
CID 119273307
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 18282452
1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]ethanol
CID 175788600
2-(2-aminoethyl)-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618711
1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(2-methoxyphenyl)urea
CID 39972995
2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119273318

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide (CID 97237661) is N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide is CCOc1cccc2cc([C@H](C)NC(=O)c3ncn[nH]3)oc12.
What is the InChIKey of N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is HYPMZARRBXUQBW-VIFPVBQESA-N. The full InChI is InChI=1S/C15H16N4O3/c1-3-21-11-6-4-5-10-7-12(22-13(10)11)9(2)18-15(20)14-16-8-17-19-14/h4-9H,3H2,1-2H3,(H,18,20)(H,16,17,19)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide?
N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 97237661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).