4-methyl-4-[(2-pyridin-2-yl-1,3-benzoxazol-6-yl)carbamoylamino]pentanoic acid

C19H20N4O4 — CID 122089064

IUPAC4-methyl-4-[(2-pyridin-2-yl-1,3-benzoxazol-6-yl)carbamoylamino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)Nc1ccc2nc(-c3ccccn3)oc2c1
InChIInChI=1S/C19H20N4O4/c1-19(2,9-8-16(24)25)23-18(26)21-12-6-7-13-15(11-12)27-17(22-13)14-5-3-4-10-20-14/h3-7,10-11H,8-9H2,1-2H3,(H,24,25)(H2,21,23,26)
InChIKeyJJVYMLIVIQXUGQ-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.65
Rot. Bonds6

About 4-methyl-4-[(2-pyridin-2-yl-1,3-benzoxazol-6-yl)carbamoylamino]pentanoic acid

4-methyl-4-[(2-pyridin-2-yl-1,3-benzoxazol-6-yl)carbamoylamino]pentanoic acid (PubChem CID 122089064) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 4-methyl-4-[(2-pyridin-2-yl-1,3-benzoxazol-6-yl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[(2-pyridin-2-yl-1,3-benzoxazol-6-yl)carbamoylamino]pentanoic acid
PubChem CID122089064
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name4-methyl-4-[(2-pyridin-2-yl-1,3-benzoxazol-6-yl)carbamoylamino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)Nc1ccc2nc(-c3ccccn3)oc2c1
InChIInChI=1S/C19H20N4O4/c1-19(2,9-8-16(24)25)23-18(26)21-12-6-7-13-15(11-12)27-17(22-13)14-5-3-4-10-20-14/h3-7,10-11H,8-9H2,1-2H3,(H,24,25)(H2,21,23,26)
InChIKeyJJVYMLIVIQXUGQ-UHFFFAOYSA-N
XLogP3.65
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-methyl-4-[(2-pyridin-2-yl-1,3-benzoxazol-6-yl)carbamoylamino]pentanoic acid with MolForge

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Related Compounds

1-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]-3-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)urea
CID 97339290
N-[4-(propanoylamino)phenyl]-N'-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)oxamide
CID 146129396
4-methyl-4-[(3-pyridin-2-yloxyphenyl)carbamoylamino]pentanoic acid
CID 122085969
4-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122086111
1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-methyl-1,3-benzoxazol-6-yl)urea
CID 110894504
2,2-difluoro-2-(3-methylphenyl)-N-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)acetamide
CID 166322453
4-[(3-carbamoylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 107809515
4-methyl-4-[(3-pyrazol-1-ylphenyl)carbamoylamino]pentanoic acid
CID 122076454
4-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoylamino)pentanoic acid
CID 122094608
1-(1-cyanopropan-2-yl)-1-methyl-3-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)urea
CID 84597798
5-methyl-1-[(2-pyridin-2-yl-1,3-benzoxazol-6-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122102761
4-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 122078045

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[(2-pyridin-2-yl-1,3-benzoxazol-6-yl)carbamoylamino]pentanoic acid?
The IUPAC name of 4-methyl-4-[(2-pyridin-2-yl-1,3-benzoxazol-6-yl)carbamoylamino]pentanoic acid (CID 122089064) is 4-methyl-4-[(2-pyridin-2-yl-1,3-benzoxazol-6-yl)carbamoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[(2-pyridin-2-yl-1,3-benzoxazol-6-yl)carbamoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[(2-pyridin-2-yl-1,3-benzoxazol-6-yl)carbamoylamino]pentanoic acid is CC(C)(CCC(=O)O)NC(=O)Nc1ccc2nc(-c3ccccn3)oc2c1.
What is the InChIKey of 4-methyl-4-[(2-pyridin-2-yl-1,3-benzoxazol-6-yl)carbamoylamino]pentanoic acid?
The InChIKey is JJVYMLIVIQXUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-19(2,9-8-16(24)25)23-18(26)21-12-6-7-13-15(11-12)27-17(22-13)14-5-3-4-10-20-14/h3-7,10-11H,8-9H2,1-2H3,(H,24,25)(H2,21,23,26).
What are the key properties of 4-methyl-4-[(2-pyridin-2-yl-1,3-benzoxazol-6-yl)carbamoylamino]pentanoic acid?
4-methyl-4-[(2-pyridin-2-yl-1,3-benzoxazol-6-yl)carbamoylamino]pentanoic acid has a molecular weight of 368.39 g/mol, XLogP of 3.65, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[(2-pyridin-2-yl-1,3-benzoxazol-6-yl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 122089064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).