3-(furan-2-yl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide

C15H15N5O2 — CID 39224251

IUPAC3-(furan-2-yl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
SMILESCc1ccc(NC(=O)CCc2ccco2)cc1-n1cnnn1
InChIInChI=1S/C15H15N5O2/c1-11-4-5-12(9-14(11)20-10-16-18-19-20)17-15(21)7-6-13-3-2-8-22-13/h2-5,8-10H,6-7H2,1H3,(H,17,21)
InChIKeyIGOMKMBYZBFCQM-UHFFFAOYSA-N
MW297.32 g/mol
LogP2.14
Rot. Bonds5

About 3-(furan-2-yl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide

3-(furan-2-yl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide (PubChem CID 39224251) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
PubChem CID39224251
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name3-(furan-2-yl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
SMILESCc1ccc(NC(=O)CCc2ccco2)cc1-n1cnnn1
InChIInChI=1S/C15H15N5O2/c1-11-4-5-12(9-14(11)20-10-16-18-19-20)17-15(21)7-6-13-3-2-8-22-13/h2-5,8-10H,6-7H2,1H3,(H,17,21)
InChIKeyIGOMKMBYZBFCQM-UHFFFAOYSA-N
XLogP2.14
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]butanamide;hydrochloride
CID 119287688
3-(cyclopropylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 60866697
2-[2-[4-methyl-3-(tetrazol-1-yl)anilino]-2-oxoethyl]sulfanylacetic acid
CID 104569427
2-(cyclopropylmethylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
CID 119720369
2-(1-aminocyclobutyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]acetamide
CID 79843120
ethyl 2-[4-methyl-3-(tetrazol-1-yl)anilino]-2-oxoacetate
CID 50776937
1,1-dimethyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
CID 47033827
furan-2-ylmethyl-[2-[3-methoxy-4-(tetrazol-1-yl)anilino]-2-oxoethyl]azanium
CID 7437156
N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide
CID 858850
3-(4-fluorophenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 134044042
N-[1-(furan-2-yl)-3-[4-methyl-3-(tetrazol-1-yl)anilino]-3-oxoprop-1-en-2-yl]benzamide
CID 103599504
3-chloro-2,2-dimethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 63678479

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide?
The IUPAC name of 3-(furan-2-yl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide (CID 39224251) is 3-(furan-2-yl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(furan-2-yl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide is Cc1ccc(NC(=O)CCc2ccco2)cc1-n1cnnn1.
What is the InChIKey of 3-(furan-2-yl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide?
The InChIKey is IGOMKMBYZBFCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-11-4-5-12(9-14(11)20-10-16-18-19-20)17-15(21)7-6-13-3-2-8-22-13/h2-5,8-10H,6-7H2,1H3,(H,17,21).
What are the key properties of 3-(furan-2-yl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide?
3-(furan-2-yl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide has a molecular weight of 297.32 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 39224251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).