N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide

C22H18F2N6O2 — CID 41294925

IUPACN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2c(F)cccc2F)o1)Nc1cccc(-c2nnnn2C2CC2)c1
InChIInChI=1S/C22H18F2N6O2/c23-16-5-2-6-17(24)21(16)18-12-25-20(32-18)10-9-19(31)26-14-4-1-3-13(11-14)22-27-28-29-30(22)15-7-8-15/h1-6,11-12,15H,7-10H2,(H,26,31)
InChIKeyAMFLPJMNHGUIEJ-UHFFFAOYSA-N
MW436.42 g/mol
LogP4.18
Rot. Bonds7

About N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide

N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 41294925) has the molecular formula C22H18F2N6O2 and a molecular weight of 436.42 g/mol. Its IUPAC name is N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID41294925
Molecular FormulaC22H18F2N6O2
Molecular Weight436.42 g/mol
Exact Mass436.15
IUPAC NameN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2c(F)cccc2F)o1)Nc1cccc(-c2nnnn2C2CC2)c1
InChIInChI=1S/C22H18F2N6O2/c23-16-5-2-6-17(24)21(16)18-12-25-20(32-18)10-9-19(31)26-14-4-1-3-13(11-14)22-27-28-29-30(22)15-7-8-15/h1-6,11-12,15H,7-10H2,(H,26,31)
InChIKeyAMFLPJMNHGUIEJ-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

N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 30765824
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
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N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(5-phenylfuran-2-yl)propanamide
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4-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]butanamide
CID 63309384
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide
CID 31404712
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CID 62232063
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
CID 30047811
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(3-fluorophenoxy)propanamide
CID 39675295
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-pyridin-4-ylpropanamide
CID 17454266
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119276593
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-phenylsulfanylbutanamide
CID 24590710
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide (CID 41294925) is N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide is O=C(CCc1ncc(-c2c(F)cccc2F)o1)Nc1cccc(-c2nnnn2C2CC2)c1.
What is the InChIKey of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is AMFLPJMNHGUIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N6O2/c23-16-5-2-6-17(24)21(16)18-12-25-20(32-18)10-9-19(31)26-14-4-1-3-13(11-14)22-27-28-29-30(22)15-7-8-15/h1-6,11-12,15H,7-10H2,(H,26,31).
What are the key properties of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide?
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2,6-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-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 41294925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).