4-(azetidine-1-carbonyl)-1-methyl-N-[2-methyl-1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-2-yl]pyrazole-5-carboxamide

C23H27N5O3 — CID 71288654

IUPAC4-(azetidine-1-carbonyl)-1-methyl-N-[2-methyl-1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-2-yl]pyrazole-5-carboxamide
SMILESCc1oc(-c2ccccc2)nc1CC(C)(C)NC(=O)c1c(C(=O)N2CCC2)cnn1C
InChIInChI=1S/C23H27N5O3/c1-15-18(25-21(31-15)16-9-6-5-7-10-16)13-23(2,3)26-20(29)19-17(14-24-27(19)4)22(30)28-11-8-12-28/h5-7,9-10,14H,8,11-13H2,1-4H3,(H,26,29)
InChIKeyJQDKZIXPRQDAOX-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.98
Rot. Bonds6

About 4-(azetidine-1-carbonyl)-1-methyl-N-[2-methyl-1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-2-yl]pyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-1-methyl-N-[2-methyl-1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-2-yl]pyrazole-5-carboxamide (PubChem CID 71288654) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-1-methyl-N-[2-methyl-1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-2-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-1-methyl-N-[2-methyl-1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-2-yl]pyrazole-5-carboxamide
PubChem CID71288654
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name4-(azetidine-1-carbonyl)-1-methyl-N-[2-methyl-1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-2-yl]pyrazole-5-carboxamide
SMILESCc1oc(-c2ccccc2)nc1CC(C)(C)NC(=O)c1c(C(=O)N2CCC2)cnn1C
InChIInChI=1S/C23H27N5O3/c1-15-18(25-21(31-15)16-9-6-5-7-10-16)13-23(2,3)26-20(29)19-17(14-24-27(19)4)22(30)28-11-8-12-28/h5-7,9-10,14H,8,11-13H2,1-4H3,(H,26,29)
InChIKeyJQDKZIXPRQDAOX-UHFFFAOYSA-N
XLogP2.98
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-methyl-1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-2-yl]pyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-methyl-1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-2-yl]pyrazole-5-carboxamide (CID 71288654) is 4-(azetidine-1-carbonyl)-1-methyl-N-[2-methyl-1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-2-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-methyl-1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-2-yl]pyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-methyl-1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-2-yl]pyrazole-5-carboxamide is Cc1oc(-c2ccccc2)nc1CC(C)(C)NC(=O)c1c(C(=O)N2CCC2)cnn1C.
What is the InChIKey of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-methyl-1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-2-yl]pyrazole-5-carboxamide?
The InChIKey is JQDKZIXPRQDAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-15-18(25-21(31-15)16-9-6-5-7-10-16)13-23(2,3)26-20(29)19-17(14-24-27(19)4)22(30)28-11-8-12-28/h5-7,9-10,14H,8,11-13H2,1-4H3,(H,26,29).
What are the key properties of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-methyl-1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-2-yl]pyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-1-methyl-N-[2-methyl-1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-2-yl]pyrazole-5-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-methyl-1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-2-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 71288654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).