cis-(1R,3S)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-hydroxycyclohexane-1-carboxamide

C14H20N2O3 — CID 133268370

IUPACcis-(1R,3S)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-hydroxycyclohexane-1-carboxamide
SMILESO=C(NCc1cc(C2CC2)on1)[C@@H]1CCC[C@H](O)C1
InChIInChI=1S/C14H20N2O3/c17-12-3-1-2-10(6-12)14(18)15-8-11-7-13(19-16-11)9-4-5-9/h7,9-10,12,17H,1-6,8H2,(H,15,18)/t10-,12+/m1/s1
InChIKeyOMGXHNVGRPRUOZ-PWSUYJOCSA-N
MW264.32 g/mol
LogP1.72
Rot. Bonds4

About cis-(1R,3S)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-hydroxycyclohexane-1-carboxamide

cis-(1R,3S)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-hydroxycyclohexane-1-carboxamide (PubChem CID 133268370) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is cis-(1R,3S)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-hydroxycyclohexane-1-carboxamide
PubChem CID133268370
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namecis-(1R,3S)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-hydroxycyclohexane-1-carboxamide
SMILESO=C(NCc1cc(C2CC2)on1)[C@@H]1CCC[C@H](O)C1
InChIInChI=1S/C14H20N2O3/c17-12-3-1-2-10(6-12)14(18)15-8-11-7-13(19-16-11)9-4-5-9/h7,9-10,12,17H,1-6,8H2,(H,15,18)/t10-,12+/m1/s1
InChIKeyOMGXHNVGRPRUOZ-PWSUYJOCSA-N
XLogP1.72
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-hydroxycyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-hydroxycyclohexane-1-carboxamide (CID 133268370) is cis-(1R,3S)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-hydroxycyclohexane-1-carboxamide is O=C(NCc1cc(C2CC2)on1)[C@@H]1CCC[C@H](O)C1.
What is the InChIKey of cis-(1R,3S)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-hydroxycyclohexane-1-carboxamide?
The InChIKey is OMGXHNVGRPRUOZ-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-12-3-1-2-10(6-12)14(18)15-8-11-7-13(19-16-11)9-4-5-9/h7,9-10,12,17H,1-6,8H2,(H,15,18)/t10-,12+/m1/s1.
What are the key properties of cis-(1R,3S)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-hydroxycyclohexane-1-carboxamide?
cis-(1R,3S)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-hydroxycyclohexane-1-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 133268370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).