4-methyl-N-[4-propan-2-yloxy-3-(2H-tetrazol-5-yl)phenyl]furan-3-carboxamide

C16H17N5O3 — CID 167816233

IUPAC4-methyl-N-[4-propan-2-yloxy-3-(2H-tetrazol-5-yl)phenyl]furan-3-carboxamide
SMILESCc1cocc1C(=O)Nc1ccc(OC(C)C)c(-c2nn[nH]n2)c1
InChIInChI=1S/C16H17N5O3/c1-9(2)24-14-5-4-11(6-12(14)15-18-20-21-19-15)17-16(22)13-8-23-7-10(13)3/h4-9H,1-3H3,(H,17,22)(H,18,19,20,21)
InChIKeyFGIQIPXSOJDLTF-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.81
Rot. Bonds5

About 4-methyl-N-[4-propan-2-yloxy-3-(2H-tetrazol-5-yl)phenyl]furan-3-carboxamide

4-methyl-N-[4-propan-2-yloxy-3-(2H-tetrazol-5-yl)phenyl]furan-3-carboxamide (PubChem CID 167816233) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is 4-methyl-N-[4-propan-2-yloxy-3-(2H-tetrazol-5-yl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[4-propan-2-yloxy-3-(2H-tetrazol-5-yl)phenyl]furan-3-carboxamide
PubChem CID167816233
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name4-methyl-N-[4-propan-2-yloxy-3-(2H-tetrazol-5-yl)phenyl]furan-3-carboxamide
SMILESCc1cocc1C(=O)Nc1ccc(OC(C)C)c(-c2nn[nH]n2)c1
InChIInChI=1S/C16H17N5O3/c1-9(2)24-14-5-4-11(6-12(14)15-18-20-21-19-15)17-16(22)13-8-23-7-10(13)3/h4-9H,1-3H3,(H,17,22)(H,18,19,20,21)
InChIKeyFGIQIPXSOJDLTF-UHFFFAOYSA-N
XLogP2.81
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,5-dimethylpyrrol-1-yl)-N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110204423
N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-4-pyrrol-1-ylbutanamide
CID 125434339
(3R)-3-(4-chlorophenyl)-N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide
CID 125431434
N-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-5-fluoro-6-(2H-tetrazol-5-yl)-1-benzofuran-3-carboxamide
CID 170284549
2-amino-N-(3-methyl-4-propan-2-yloxyphenyl)acetamide
CID 82494452
2-propan-2-yloxy-5-(2H-tetrazol-5-yl)aniline
CID 131303852
4-tert-butyl-N-[4-[(5-methyl-2-pyridinyl)carbamoyl]-3-(2H-tetrazol-5-yl)phenyl]piperidine-1-carboxamide
CID 170433984
2,3-dimethoxy-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17164751
6-methyl-8-propan-2-yloxy-5-(2H-tetrazol-5-yl)chromen-2-one
CID 88780085
N-(3-chloro-4-methylphenyl)-2-propan-2-yloxybenzamide
CID 17045551
4-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 81230238
1-[4-(3,4-dimethoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 170434313

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-propan-2-yloxy-3-(2H-tetrazol-5-yl)phenyl]furan-3-carboxamide?
The IUPAC name of 4-methyl-N-[4-propan-2-yloxy-3-(2H-tetrazol-5-yl)phenyl]furan-3-carboxamide (CID 167816233) is 4-methyl-N-[4-propan-2-yloxy-3-(2H-tetrazol-5-yl)phenyl]furan-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[4-propan-2-yloxy-3-(2H-tetrazol-5-yl)phenyl]furan-3-carboxamide?
The canonical SMILES for 4-methyl-N-[4-propan-2-yloxy-3-(2H-tetrazol-5-yl)phenyl]furan-3-carboxamide is Cc1cocc1C(=O)Nc1ccc(OC(C)C)c(-c2nn[nH]n2)c1.
What is the InChIKey of 4-methyl-N-[4-propan-2-yloxy-3-(2H-tetrazol-5-yl)phenyl]furan-3-carboxamide?
The InChIKey is FGIQIPXSOJDLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-9(2)24-14-5-4-11(6-12(14)15-18-20-21-19-15)17-16(22)13-8-23-7-10(13)3/h4-9H,1-3H3,(H,17,22)(H,18,19,20,21).
What are the key properties of 4-methyl-N-[4-propan-2-yloxy-3-(2H-tetrazol-5-yl)phenyl]furan-3-carboxamide?
4-methyl-N-[4-propan-2-yloxy-3-(2H-tetrazol-5-yl)phenyl]furan-3-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-propan-2-yloxy-3-(2H-tetrazol-5-yl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 167816233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).