N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(5-phenylfuran-2-yl)propanamide

C23H21N5O2 — CID 17455277

IUPACN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(5-phenylfuran-2-yl)propanamide
SMILESO=C(CCc1ccc(-c2ccccc2)o1)Nc1cccc(-c2nnnn2C2CC2)c1
InChIInChI=1S/C23H21N5O2/c29-22(14-12-20-11-13-21(30-20)16-5-2-1-3-6-16)24-18-8-4-7-17(15-18)23-25-26-27-28(23)19-9-10-19/h1-8,11,13,15,19H,9-10,12,14H2,(H,24,29)
InChIKeyHOBQZSHWJPDVAI-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.51
Rot. Bonds7

About N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(5-phenylfuran-2-yl)propanamide

N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(5-phenylfuran-2-yl)propanamide (PubChem CID 17455277) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(5-phenylfuran-2-yl)propanamide.

Molecular Properties

Compound NameN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(5-phenylfuran-2-yl)propanamide
PubChem CID17455277
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC NameN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(5-phenylfuran-2-yl)propanamide
SMILESO=C(CCc1ccc(-c2ccccc2)o1)Nc1cccc(-c2nnnn2C2CC2)c1
InChIInChI=1S/C23H21N5O2/c29-22(14-12-20-11-13-21(30-20)16-5-2-1-3-6-16)24-18-8-4-7-17(15-18)23-25-26-27-28(23)19-9-10-19/h1-8,11,13,15,19H,9-10,12,14H2,(H,24,29)
InChIKeyHOBQZSHWJPDVAI-UHFFFAOYSA-N
XLogP4.51
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxopropanoic acid
CID 62232063
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
CID 30047811
4-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]butanamide
CID 63309384
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-phenylsulfanylbutanamide
CID 24590710
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 41294925
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119276593
3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119949263
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 41181268
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 41293386
(3R)-3-(carbamoylamino)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide
CID 41263869
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 41181805
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(3-fluorophenoxy)propanamide
CID 39675295

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(5-phenylfuran-2-yl)propanamide?
The IUPAC name of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(5-phenylfuran-2-yl)propanamide (CID 17455277) is N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(5-phenylfuran-2-yl)propanamide.
What is the SMILES notation for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(5-phenylfuran-2-yl)propanamide?
The canonical SMILES for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(5-phenylfuran-2-yl)propanamide is O=C(CCc1ccc(-c2ccccc2)o1)Nc1cccc(-c2nnnn2C2CC2)c1.
What is the InChIKey of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(5-phenylfuran-2-yl)propanamide?
The InChIKey is HOBQZSHWJPDVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c29-22(14-12-20-11-13-21(30-20)16-5-2-1-3-6-16)24-18-8-4-7-17(15-18)23-25-26-27-28(23)19-9-10-19/h1-8,11,13,15,19H,9-10,12,14H2,(H,24,29).
What are the key properties of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(5-phenylfuran-2-yl)propanamide?
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(5-phenylfuran-2-yl)propanamide has a molecular weight of 399.45 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(5-phenylfuran-2-yl)propanamide is sourced from PubChem (CID 17455277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).