N'-[1-[4-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide

C28H30N6O5 — CID 20766661

IUPACN'-[1-[4-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
SMILESCOc1cc(NC(=O)C(=O)NC(C)(C)Cc2ccc(NC(=O)c3cc(C)nn3C)cc2)ccc1-c1cnco1
InChIInChI=1S/C28H30N6O5/c1-17-12-22(34(4)33-17)25(35)30-19-8-6-18(7-9-19)14-28(2,3)32-27(37)26(36)31-20-10-11-21(23(13-20)38-5)24-15-29-16-39-24/h6-13,15-16H,14H2,1-5H3,(H,30,35)(H,31,36)(H,32,37)
InChIKeyLCFYXLPOLWRGKD-UHFFFAOYSA-N
MW530.59 g/mol
LogP3.72
Rot. Bonds8

About N'-[1-[4-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide

N'-[1-[4-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide (PubChem CID 20766661) has the molecular formula C28H30N6O5 and a molecular weight of 530.59 g/mol. Its IUPAC name is N'-[1-[4-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide.

Molecular Properties

Compound NameN'-[1-[4-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
PubChem CID20766661
Molecular FormulaC28H30N6O5
Molecular Weight530.59 g/mol
Exact Mass530.23
IUPAC NameN'-[1-[4-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
SMILESCOc1cc(NC(=O)C(=O)NC(C)(C)Cc2ccc(NC(=O)c3cc(C)nn3C)cc2)ccc1-c1cnco1
InChIInChI=1S/C28H30N6O5/c1-17-12-22(34(4)33-17)25(35)30-19-8-6-18(7-9-19)14-28(2,3)32-27(37)26(36)31-20-10-11-21(23(13-20)38-5)24-15-29-16-39-24/h6-13,15-16H,14H2,1-5H3,(H,30,35)(H,31,36)(H,32,37)
InChIKeyLCFYXLPOLWRGKD-UHFFFAOYSA-N
XLogP3.72
TPSA140.38 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.59
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-[1-[4-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[1-[4-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide?
The IUPAC name of N'-[1-[4-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide (CID 20766661) is N'-[1-[4-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide.
What is the SMILES notation for N'-[1-[4-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide?
The canonical SMILES for N'-[1-[4-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide is COc1cc(NC(=O)C(=O)NC(C)(C)Cc2ccc(NC(=O)c3cc(C)nn3C)cc2)ccc1-c1cnco1.
What is the InChIKey of N'-[1-[4-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide?
The InChIKey is LCFYXLPOLWRGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O5/c1-17-12-22(34(4)33-17)25(35)30-19-8-6-18(7-9-19)14-28(2,3)32-27(37)26(36)31-20-10-11-21(23(13-20)38-5)24-15-29-16-39-24/h6-13,15-16H,14H2,1-5H3,(H,30,35)(H,31,36)(H,32,37).
What are the key properties of N'-[1-[4-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide?
N'-[1-[4-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide has a molecular weight of 530.59 g/mol, XLogP of 3.72, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[4-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide is sourced from PubChem (CID 20766661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).