(5R)-N-[(1S)-3-amino-1-cyclohexyl-3-oxopropyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

C19H25N3O3 — CID 95787080

IUPAC(5R)-N-[(1S)-3-amino-1-cyclohexyl-3-oxopropyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESNC(=O)C[C@H](NC(=O)C1=NO[C@@H](c2ccccc2)C1)C1CCCCC1
InChIInChI=1S/C19H25N3O3/c20-18(23)12-15(13-7-3-1-4-8-13)21-19(24)16-11-17(25-22-16)14-9-5-2-6-10-14/h2,5-6,9-10,13,15,17H,1,3-4,7-8,11-12H2,(H2,20,23)(H,21,24)/t15-,17+/m0/s1
InChIKeyFGWUXGCYMCJIDV-DOTOQJQBSA-N
MW343.43 g/mol
LogP2.44
Rot. Bonds6

About (5R)-N-[(1S)-3-amino-1-cyclohexyl-3-oxopropyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

(5R)-N-[(1S)-3-amino-1-cyclohexyl-3-oxopropyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 95787080) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (5R)-N-[(1S)-3-amino-1-cyclohexyl-3-oxopropyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name(5R)-N-[(1S)-3-amino-1-cyclohexyl-3-oxopropyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID95787080
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(5R)-N-[(1S)-3-amino-1-cyclohexyl-3-oxopropyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESNC(=O)C[C@H](NC(=O)C1=NO[C@@H](c2ccccc2)C1)C1CCCCC1
InChIInChI=1S/C19H25N3O3/c20-18(23)12-15(13-7-3-1-4-8-13)21-19(24)16-11-17(25-22-16)14-9-5-2-6-10-14/h2,5-6,9-10,13,15,17H,1,3-4,7-8,11-12H2,(H2,20,23)(H,21,24)/t15-,17+/m0/s1
InChIKeyFGWUXGCYMCJIDV-DOTOQJQBSA-N
XLogP2.44
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-[(1S)-3-amino-1-cyclohexyl-3-oxopropyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of (5R)-N-[(1S)-3-amino-1-cyclohexyl-3-oxopropyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 95787080) is (5R)-N-[(1S)-3-amino-1-cyclohexyl-3-oxopropyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for (5R)-N-[(1S)-3-amino-1-cyclohexyl-3-oxopropyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for (5R)-N-[(1S)-3-amino-1-cyclohexyl-3-oxopropyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is NC(=O)C[C@H](NC(=O)C1=NO[C@@H](c2ccccc2)C1)C1CCCCC1.
What is the InChIKey of (5R)-N-[(1S)-3-amino-1-cyclohexyl-3-oxopropyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is FGWUXGCYMCJIDV-DOTOQJQBSA-N. The full InChI is InChI=1S/C19H25N3O3/c20-18(23)12-15(13-7-3-1-4-8-13)21-19(24)16-11-17(25-22-16)14-9-5-2-6-10-14/h2,5-6,9-10,13,15,17H,1,3-4,7-8,11-12H2,(H2,20,23)(H,21,24)/t15-,17+/m0/s1.
What are the key properties of (5R)-N-[(1S)-3-amino-1-cyclohexyl-3-oxopropyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
(5R)-N-[(1S)-3-amino-1-cyclohexyl-3-oxopropyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[(1S)-3-amino-1-cyclohexyl-3-oxopropyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95787080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).