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

C22H25N5O4 — CID 71288657

IUPAC1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide
SMILESCc1oc(-c2ccccc2)nc1CCNC(=O)c1c(C(=O)N2CCOCC2)cnn1C
InChIInChI=1S/C22H25N5O4/c1-15-18(25-21(31-15)16-6-4-3-5-7-16)8-9-23-20(28)19-17(14-24-26(19)2)22(29)27-10-12-30-13-11-27/h3-7,14H,8-13H2,1-2H3,(H,23,28)
InChIKeyFKAVUMYTXNXHJJ-UHFFFAOYSA-N
MW423.47 g/mol
LogP1.83
Rot. Bonds6

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

1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide (PubChem CID 71288657) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is 1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide
PubChem CID71288657
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide
SMILESCc1oc(-c2ccccc2)nc1CCNC(=O)c1c(C(=O)N2CCOCC2)cnn1C
InChIInChI=1S/C22H25N5O4/c1-15-18(25-21(31-15)16-6-4-3-5-7-16)8-9-23-20(28)19-17(14-24-26(19)2)22(29)27-10-12-30-13-11-27/h3-7,14H,8-13H2,1-2H3,(H,23,28)
InChIKeyFKAVUMYTXNXHJJ-UHFFFAOYSA-N
XLogP1.83
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide with MolForge

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Related Compounds

4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-phenyl-5-pyridin-3-yl-1,3-oxazol-4-yl)ethyl]pyrazole-5-carboxamide
CID 71288692
AS2444697
CID 52913874
1-{[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2-[2-(1H-pyrazol-1-yl)ethyl]piperidine
CID 16190663
N-[1-[2-[(4,6-dimethyl-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 60162627
N-[5-[(4-methoxycyclohexyl)carbamoyl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 118714279
N-(3-carbamoyl-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)-2-(2-methylpyridin-4-yl)oxazole-4-carboxamide hydrochloride
CID 118719434
5-(3-methylphenyl)-N-[1-(2-phenoxyethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide
CID 126842402
1-cyclopentyl-5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(1,3-oxazol-2-ylmethylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]pyrazole-3-carboxamide
CID 129226755
4-(azetidine-1-carbonyl)-N-[2-(2,5-diphenyl-1,3-oxazol-4-yl)ethyl]-1-methylpyrazole-5-carboxamide
CID 71288599
N-ethyl-N-{[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2-(1H-pyrazol-1-yl)ethanamine
CID 16187226
1-{[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2-[2-(1H-pyrazol-1-yl)ethyl]piperidine
CID 16191113
N-{[2-(2,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]cyclopropanamine
CID 16192416

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide (CID 71288657) is 1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide is Cc1oc(-c2ccccc2)nc1CCNC(=O)c1c(C(=O)N2CCOCC2)cnn1C.
What is the InChIKey of 1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide?
The InChIKey is FKAVUMYTXNXHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-15-18(25-21(31-15)16-6-4-3-5-7-16)8-9-23-20(28)19-17(14-24-26(19)2)22(29)27-10-12-30-13-11-27/h3-7,14H,8-13H2,1-2H3,(H,23,28).
What are the key properties of 1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide?
1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide is sourced from PubChem (CID 71288657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).