4-methyl-2-(2-methylpropyl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-5-carboxamide

C20H25N3O4 — CID 119046666

IUPAC4-methyl-2-(2-methylpropyl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(CC(C)C)oc1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H25N3O4/c1-13(2)12-17-21-14(3)18(27-17)19(24)22-16-6-4-15(5-7-16)20(25)23-8-10-26-11-9-23/h4-7,13H,8-12H2,1-3H3,(H,22,24)
InChIKeyKZLMZBSBKVREFX-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.91
Rot. Bonds5

About 4-methyl-2-(2-methylpropyl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-5-carboxamide

4-methyl-2-(2-methylpropyl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-5-carboxamide (PubChem CID 119046666) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-methyl-2-(2-methylpropyl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-(2-methylpropyl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-5-carboxamide
PubChem CID119046666
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name4-methyl-2-(2-methylpropyl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(CC(C)C)oc1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H25N3O4/c1-13(2)12-17-21-14(3)18(27-17)19(24)22-16-6-4-15(5-7-16)20(25)23-8-10-26-11-9-23/h4-7,13H,8-12H2,1-3H3,(H,22,24)
InChIKeyKZLMZBSBKVREFX-UHFFFAOYSA-N
XLogP2.91
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-4-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-oxazole-5-carboxamide
CID 131917366
4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
CID 17194765
3-methyl-N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]butanamide
CID 54832093
1-[4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250636
3-methyl-N-[4-(morpholine-4-carbonyl)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 112835639
N-[4-(2-methylpropoxy)phenyl]-2-[4-(morpholine-4-carbonyl)anilino]acetamide
CID 54832218
4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
CID 78892234
2-(4-methylphenoxy)-N-[4-(morpholine-4-carbonyl)phenyl]propanamide
CID 17194734
N-[4-(morpholine-4-carbonyl)phenyl]-2,3-di(propan-2-yl)benzamide
CID 175025885
N-butan-2-yl-4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834706
N-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 653867
3-bromo-4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
CID 17194786

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylpropyl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 4-methyl-2-(2-methylpropyl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-5-carboxamide (CID 119046666) is 4-methyl-2-(2-methylpropyl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-(2-methylpropyl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-(2-methylpropyl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-5-carboxamide is Cc1nc(CC(C)C)oc1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-methyl-2-(2-methylpropyl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-5-carboxamide?
The InChIKey is KZLMZBSBKVREFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-13(2)12-17-21-14(3)18(27-17)19(24)22-16-6-4-15(5-7-16)20(25)23-8-10-26-11-9-23/h4-7,13H,8-12H2,1-3H3,(H,22,24).
What are the key properties of 4-methyl-2-(2-methylpropyl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-5-carboxamide?
4-methyl-2-(2-methylpropyl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-5-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylpropyl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 119046666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).