[1-[4-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-[3-(pyridin-3-ylcarbamoyl)phenyl]methyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid

C29H32N6O6 — CID 118948980

IUPAC[1-[4-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-[3-(pyridin-3-ylcarbamoyl)phenyl]methyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid
SMILESCC(NC(=O)O)C(=O)N1CCC(C(NC(=O)c2cc(C3CC3)on2)c2cccc(C(=O)Nc3cccnc3)c2)CC1
InChIInChI=1S/C29H32N6O6/c1-17(31-29(39)40)28(38)35-12-9-19(10-13-35)25(33-27(37)23-15-24(41-34-23)18-7-8-18)20-4-2-5-21(14-20)26(36)32-22-6-3-11-30-16-22/h2-6,11,14-19,25,31H,7-10,12-13H2,1H3,(H,32,36)(H,33,37)(H,39,40)
InChIKeyJJWZUXWKWDZSDU-UHFFFAOYSA-N
MW560.61 g/mol
LogP3.57
Rot. Bonds9

About [1-[4-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-[3-(pyridin-3-ylcarbamoyl)phenyl]methyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid

[1-[4-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-[3-(pyridin-3-ylcarbamoyl)phenyl]methyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid (PubChem CID 118948980) has the molecular formula C29H32N6O6 and a molecular weight of 560.61 g/mol. Its IUPAC name is [1-[4-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-[3-(pyridin-3-ylcarbamoyl)phenyl]methyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-[4-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-[3-(pyridin-3-ylcarbamoyl)phenyl]methyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid
PubChem CID118948980
Molecular FormulaC29H32N6O6
Molecular Weight560.61 g/mol
Exact Mass560.24
IUPAC Name[1-[4-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-[3-(pyridin-3-ylcarbamoyl)phenyl]methyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid
SMILESCC(NC(=O)O)C(=O)N1CCC(C(NC(=O)c2cc(C3CC3)on2)c2cccc(C(=O)Nc3cccnc3)c2)CC1
InChIInChI=1S/C29H32N6O6/c1-17(31-29(39)40)28(38)35-12-9-19(10-13-35)25(33-27(37)23-15-24(41-34-23)18-7-8-18)20-4-2-5-21(14-20)26(36)32-22-6-3-11-30-16-22/h2-6,11,14-19,25,31H,7-10,12-13H2,1H3,(H,32,36)(H,33,37)(H,39,40)
InChIKeyJJWZUXWKWDZSDU-UHFFFAOYSA-N
XLogP3.57
TPSA166.76 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.61
LogP ≤ 53.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze [1-[4-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-[3-(pyridin-3-ylcarbamoyl)phenyl]methyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-[4-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-[3-(pyridin-3-ylcarbamoyl)phenyl]methyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid?
The IUPAC name of [1-[4-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-[3-(pyridin-3-ylcarbamoyl)phenyl]methyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid (CID 118948980) is [1-[4-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-[3-(pyridin-3-ylcarbamoyl)phenyl]methyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid.
What is the SMILES notation for [1-[4-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-[3-(pyridin-3-ylcarbamoyl)phenyl]methyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid?
The canonical SMILES for [1-[4-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-[3-(pyridin-3-ylcarbamoyl)phenyl]methyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid is CC(NC(=O)O)C(=O)N1CCC(C(NC(=O)c2cc(C3CC3)on2)c2cccc(C(=O)Nc3cccnc3)c2)CC1.
What is the InChIKey of [1-[4-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-[3-(pyridin-3-ylcarbamoyl)phenyl]methyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid?
The InChIKey is JJWZUXWKWDZSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O6/c1-17(31-29(39)40)28(38)35-12-9-19(10-13-35)25(33-27(37)23-15-24(41-34-23)18-7-8-18)20-4-2-5-21(14-20)26(36)32-22-6-3-11-30-16-22/h2-6,11,14-19,25,31H,7-10,12-13H2,1H3,(H,32,36)(H,33,37)(H,39,40).
What are the key properties of [1-[4-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-[3-(pyridin-3-ylcarbamoyl)phenyl]methyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid?
[1-[4-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-[3-(pyridin-3-ylcarbamoyl)phenyl]methyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid has a molecular weight of 560.61 g/mol, XLogP of 3.57, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-[3-(pyridin-3-ylcarbamoyl)phenyl]methyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 118948980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).