N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-3-methylfuran-2-carboxamide

C17H17N5O3 — CID 71858611

IUPACN-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-3-methylfuran-2-carboxamide
SMILESCOc1ccc(NC(=O)c2occc2C)cc1-n1nnnc1C1CC1
InChIInChI=1S/C17H17N5O3/c1-10-7-8-25-15(10)17(23)18-12-5-6-14(24-2)13(9-12)22-16(11-3-4-11)19-20-21-22/h5-9,11H,3-4H2,1-2H3,(H,18,23)
InChIKeyGUAGVIRCOGZZSN-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.70
Rot. Bonds5

About N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-3-methylfuran-2-carboxamide

N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-3-methylfuran-2-carboxamide (PubChem CID 71858611) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-3-methylfuran-2-carboxamide
PubChem CID71858611
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC NameN-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-3-methylfuran-2-carboxamide
SMILESCOc1ccc(NC(=O)c2occc2C)cc1-n1nnnc1C1CC1
InChIInChI=1S/C17H17N5O3/c1-10-7-8-25-15(10)17(23)18-12-5-6-14(24-2)13(9-12)22-16(11-3-4-11)19-20-21-22/h5-9,11H,3-4H2,1-2H3,(H,18,23)
InChIKeyGUAGVIRCOGZZSN-UHFFFAOYSA-N
XLogP2.70
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-2-methylbenzamide
CID 120637506
4-(aminomethyl)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]benzamide
CID 119340060
(2S)-2-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-4-methylpentanamide
CID 119812445
3-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119812407
3-[[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122086478
3-(2-aminophenyl)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]propanamide;hydrochloride
CID 120611594
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 119313715
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-2-(oxolan-3-yl)acetamide
CID 136527239
trans-(1R,2R)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide
CID 95777482
N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-2-(oxan-4-yl)propanamide
CID 167910778
3-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119766638
(2S)-2-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 119313707

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-3-methylfuran-2-carboxamide (CID 71858611) is N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-3-methylfuran-2-carboxamide is COc1ccc(NC(=O)c2occc2C)cc1-n1nnnc1C1CC1.
What is the InChIKey of N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-3-methylfuran-2-carboxamide?
The InChIKey is GUAGVIRCOGZZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-10-7-8-25-15(10)17(23)18-12-5-6-14(24-2)13(9-12)22-16(11-3-4-11)19-20-21-22/h5-9,11H,3-4H2,1-2H3,(H,18,23).
What are the key properties of N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-3-methylfuran-2-carboxamide?
N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-3-methylfuran-2-carboxamide has a molecular weight of 339.36 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 71858611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).