3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide

C22H19ClN6O2 — CID 31404712

IUPAC3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide
SMILESO=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1ccc(-c2nnnn2C2CC2)cc1
InChIInChI=1S/C22H19ClN6O2/c23-18-4-2-1-3-17(18)19-13-24-21(31-19)12-11-20(30)25-15-7-5-14(6-8-15)22-26-27-28-29(22)16-9-10-16/h1-8,13,16H,9-12H2,(H,25,30)
InChIKeyMZFACAYOGCCSSB-UHFFFAOYSA-N
MW434.89 g/mol
LogP4.55
Rot. Bonds7

About 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide (PubChem CID 31404712) has the molecular formula C22H19ClN6O2 and a molecular weight of 434.89 g/mol. Its IUPAC name is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide
PubChem CID31404712
Molecular FormulaC22H19ClN6O2
Molecular Weight434.89 g/mol
Exact Mass434.13
IUPAC Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide
SMILESO=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1ccc(-c2nnnn2C2CC2)cc1
InChIInChI=1S/C22H19ClN6O2/c23-18-4-2-1-3-17(18)19-13-24-21(31-19)12-11-20(30)25-15-7-5-14(6-8-15)22-26-27-28-29(22)16-9-10-16/h1-8,13,16H,9-12H2,(H,25,30)
InChIKeyMZFACAYOGCCSSB-UHFFFAOYSA-N
XLogP4.55
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.89
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 30765824
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-fluorophenyl)propanamide
CID 16583617
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 41294925
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-piperidin-1-yl-3-pyridinyl)propanamide
CID 24612254
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-chloro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]propanamide
CID 36949984
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide
CID 26081829
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 30771703
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(2-ethoxyphenoxy)butanamide
CID 55536713
N-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide
CID 26059317
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide
CID 112833342
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1S)-1-cyclopropylethyl]propanamide
CID 32893547
5-(2-chlorophenyl)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanylmethyl]-1,3-oxazole
CID 71926181

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide?
The IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide (CID 31404712) is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide.
What is the SMILES notation for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide?
The canonical SMILES for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide is O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1ccc(-c2nnnn2C2CC2)cc1.
What is the InChIKey of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide?
The InChIKey is MZFACAYOGCCSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN6O2/c23-18-4-2-1-3-17(18)19-13-24-21(31-19)12-11-20(30)25-15-7-5-14(6-8-15)22-26-27-28-29(22)16-9-10-16/h1-8,13,16H,9-12H2,(H,25,30).
What are the key properties of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide?
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide has a molecular weight of 434.89 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide is sourced from PubChem (CID 31404712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).