N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-cyclopentyl-1,3-oxazole-4-carboxamide

C19H23N3O3 — CID 99785373

IUPACN-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-cyclopentyl-1,3-oxazole-4-carboxamide
SMILESC[C@H](NC(=O)c1coc(C2CCCC2)n1)C(=O)NCc1ccccc1
InChIInChI=1S/C19H23N3O3/c1-13(17(23)20-11-14-7-3-2-4-8-14)21-18(24)16-12-25-19(22-16)15-9-5-6-10-15/h2-4,7-8,12-13,15H,5-6,9-11H2,1H3,(H,20,23)(H,21,24)/t13-/m0/s1
InChIKeyPWTPWZMFEXOCNP-ZDUSSCGKSA-N
MW341.41 g/mol
LogP2.77
Rot. Bonds6

About N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-cyclopentyl-1,3-oxazole-4-carboxamide

N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-cyclopentyl-1,3-oxazole-4-carboxamide (PubChem CID 99785373) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-cyclopentyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-cyclopentyl-1,3-oxazole-4-carboxamide
PubChem CID99785373
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-cyclopentyl-1,3-oxazole-4-carboxamide
SMILESC[C@H](NC(=O)c1coc(C2CCCC2)n1)C(=O)NCc1ccccc1
InChIInChI=1S/C19H23N3O3/c1-13(17(23)20-11-14-7-3-2-4-8-14)21-18(24)16-12-25-19(22-16)15-9-5-6-10-15/h2-4,7-8,12-13,15H,5-6,9-11H2,1H3,(H,20,23)(H,21,24)/t13-/m0/s1
InChIKeyPWTPWZMFEXOCNP-ZDUSSCGKSA-N
XLogP2.77
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-cyclopentyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-cyclopentyl-1,3-oxazole-4-carboxamide (CID 99785373) is N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-cyclopentyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-cyclopentyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-cyclopentyl-1,3-oxazole-4-carboxamide is C[C@H](NC(=O)c1coc(C2CCCC2)n1)C(=O)NCc1ccccc1.
What is the InChIKey of N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-cyclopentyl-1,3-oxazole-4-carboxamide?
The InChIKey is PWTPWZMFEXOCNP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13(17(23)20-11-14-7-3-2-4-8-14)21-18(24)16-12-25-19(22-16)15-9-5-6-10-15/h2-4,7-8,12-13,15H,5-6,9-11H2,1H3,(H,20,23)(H,21,24)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-cyclopentyl-1,3-oxazole-4-carboxamide?
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-cyclopentyl-1,3-oxazole-4-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-cyclopentyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 99785373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).