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

C22H18F2N6O2 — CID 30765824

IUPACN-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ccc(-c2nnnn2C2CC2)cc1
InChIInChI=1S/C22H18F2N6O2/c23-14-3-8-17(18(24)11-14)19-12-25-21(32-19)10-9-20(31)26-15-4-1-13(2-5-15)22-27-28-29-30(22)16-6-7-16/h1-5,8,11-12,16H,6-7,9-10H2,(H,26,31)
InChIKeyXWVGUZOIYPTONE-UHFFFAOYSA-N
MW436.42 g/mol
LogP4.18
Rot. Bonds7

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

N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 30765824) has the molecular formula C22H18F2N6O2 and a molecular weight of 436.42 g/mol. Its IUPAC name is N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID30765824
Molecular FormulaC22H18F2N6O2
Molecular Weight436.42 g/mol
Exact Mass436.15
IUPAC NameN-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ccc(-c2nnnn2C2CC2)cc1
InChIInChI=1S/C22H18F2N6O2/c23-14-3-8-17(18(24)11-14)19-12-25-21(32-19)10-9-20(31)26-15-4-1-13(2-5-15)22-27-28-29-30(22)16-6-7-16/h1-5,8,11-12,16H,6-7,9-10H2,(H,26,31)
InChIKeyXWVGUZOIYPTONE-UHFFFAOYSA-N
XLogP4.18
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide
CID 31404712
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CID 41294925
N-(3,5-dichlorophenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590665
N-[3-(azepan-1-ylsulfonyl)phenyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16591815
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 46548477
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-pyrrolidin-3-ylpropanamide
CID 119451500
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16593746
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 26124906
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 16590473
2-cyclopropyl-2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetic acid
CID 119213751
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,3-dimethylphenyl)propanamide
CID 17437155
N-(4-aminocyclohexyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide (CID 30765824) is N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide is O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ccc(-c2nnnn2C2CC2)cc1.
What is the InChIKey of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is XWVGUZOIYPTONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N6O2/c23-14-3-8-17(18(24)11-14)19-12-25-21(32-19)10-9-20(31)26-15-4-1-13(2-5-15)22-27-28-29-30(22)16-6-7-16/h1-5,8,11-12,16H,6-7,9-10H2,(H,26,31).
What are the key properties of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide?
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 436.42 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 30765824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).