N-[(2S)-1-[[(2S,3S)-1-[(2S)-2-(tert-butylcarbamoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide

C29H47N5O5 — CID 56640398

IUPACN-[(2S)-1-[[(2S,3S)-1-[(2S)-2-(tert-butylcarbamoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)N1CCCC[C@H]1C(=O)NC(C)(C)C
InChIInChI=1S/C29H47N5O5/c1-6-19(2)24(28(38)34-17-11-10-14-22(34)26(36)33-29(3,4)5)32-25(35)21(18-20-12-8-7-9-13-20)31-27(37)23-15-16-30-39-23/h15-16,19-22,24H,6-14,17-18H2,1-5H3,(H,31,37)(H,32,35)(H,33,36)/t19-,21-,22-,24-/m0/s1
InChIKeyOZGGPYPVLYGRRQ-CHLMOITFSA-N
MW545.73 g/mol
LogP3.57
Rot. Bonds10

About N-[(2S)-1-[[(2S,3S)-1-[(2S)-2-(tert-butylcarbamoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide

N-[(2S)-1-[[(2S,3S)-1-[(2S)-2-(tert-butylcarbamoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide (PubChem CID 56640398) has the molecular formula C29H47N5O5 and a molecular weight of 545.73 g/mol. Its IUPAC name is N-[(2S)-1-[[(2S,3S)-1-[(2S)-2-(tert-butylcarbamoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(2S,3S)-1-[(2S)-2-(tert-butylcarbamoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
PubChem CID56640398
Molecular FormulaC29H47N5O5
Molecular Weight545.73 g/mol
Exact Mass545.36
IUPAC NameN-[(2S)-1-[[(2S,3S)-1-[(2S)-2-(tert-butylcarbamoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)N1CCCC[C@H]1C(=O)NC(C)(C)C
InChIInChI=1S/C29H47N5O5/c1-6-19(2)24(28(38)34-17-11-10-14-22(34)26(36)33-29(3,4)5)32-25(35)21(18-20-12-8-7-9-13-20)31-27(37)23-15-16-30-39-23/h15-16,19-22,24H,6-14,17-18H2,1-5H3,(H,31,37)(H,32,35)(H,33,36)/t19-,21-,22-,24-/m0/s1
InChIKeyOZGGPYPVLYGRRQ-CHLMOITFSA-N
XLogP3.57
TPSA133.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.73
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-1-[[(2S,3S)-1-[(2S)-2-(tert-butylcarbamoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(2S,3S)-1-[(2S)-2-(tert-butylcarbamoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(2S)-1-[[(2S,3S)-1-[(2S)-2-(tert-butylcarbamoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide (CID 56640398) is N-[(2S)-1-[[(2S,3S)-1-[(2S)-2-(tert-butylcarbamoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[(2S,3S)-1-[(2S)-2-(tert-butylcarbamoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(2S)-1-[[(2S,3S)-1-[(2S)-2-(tert-butylcarbamoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide is CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)N1CCCC[C@H]1C(=O)NC(C)(C)C.
What is the InChIKey of N-[(2S)-1-[[(2S,3S)-1-[(2S)-2-(tert-butylcarbamoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is OZGGPYPVLYGRRQ-CHLMOITFSA-N. The full InChI is InChI=1S/C29H47N5O5/c1-6-19(2)24(28(38)34-17-11-10-14-22(34)26(36)33-29(3,4)5)32-25(35)21(18-20-12-8-7-9-13-20)31-27(37)23-15-16-30-39-23/h15-16,19-22,24H,6-14,17-18H2,1-5H3,(H,31,37)(H,32,35)(H,33,36)/t19-,21-,22-,24-/m0/s1.
What are the key properties of N-[(2S)-1-[[(2S,3S)-1-[(2S)-2-(tert-butylcarbamoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide?
N-[(2S)-1-[[(2S,3S)-1-[(2S)-2-(tert-butylcarbamoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 545.73 g/mol, XLogP of 3.57, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(2S,3S)-1-[(2S)-2-(tert-butylcarbamoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 56640398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).