N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

C21H20N6O3 — CID 41181268

IUPACN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESO=C(CCCn1c(=O)oc2ccccc21)Nc1cccc(-c2nnnn2C2CC2)c1
InChIInChI=1S/C21H20N6O3/c28-19(9-4-12-26-17-7-1-2-8-18(17)30-21(26)29)22-15-6-3-5-14(13-15)20-23-24-25-27(20)16-10-11-16/h1-3,5-8,13,16H,4,9-12H2,(H,22,28)
InChIKeyUHONZAANSLTZFH-UHFFFAOYSA-N
MW404.43 g/mol
LogP3.00
Rot. Bonds7

About N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (PubChem CID 41181268) has the molecular formula C21H20N6O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.

Molecular Properties

Compound NameN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
PubChem CID41181268
Molecular FormulaC21H20N6O3
Molecular Weight404.43 g/mol
Exact Mass404.16
IUPAC NameN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESO=C(CCCn1c(=O)oc2ccccc21)Nc1cccc(-c2nnnn2C2CC2)c1
InChIInChI=1S/C21H20N6O3/c28-19(9-4-12-26-17-7-1-2-8-18(17)30-21(26)29)22-15-6-3-5-14(13-15)20-23-24-25-27(20)16-10-11-16/h1-3,5-8,13,16H,4,9-12H2,(H,22,28)
InChIKeyUHONZAANSLTZFH-UHFFFAOYSA-N
XLogP3.00
TPSA107.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-phenylfuran-2-yl)propanamide
CID 17455277
3-[3-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxopropanoic acid
CID 62232063
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
CID 30047811
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(propanoylamino)phenyl]butanamide
CID 46578619
N-(3-acetylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822292
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119276593
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 41294925
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanamide
CID 24590746
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(4-ethoxyphenoxy)butanamide
CID 24590707
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 41293386

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The IUPAC name of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (CID 41181268) is N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.
What is the SMILES notation for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The canonical SMILES for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is O=C(CCCn1c(=O)oc2ccccc21)Nc1cccc(-c2nnnn2C2CC2)c1.
What is the InChIKey of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The InChIKey is UHONZAANSLTZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3/c28-19(9-4-12-26-17-7-1-2-8-18(17)30-21(26)29)22-15-6-3-5-14(13-15)20-23-24-25-27(20)16-10-11-16/h1-3,5-8,13,16H,4,9-12H2,(H,22,28).
What are the key properties of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide has a molecular weight of 404.43 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is sourced from PubChem (CID 41181268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).