3-(3-chloro-1,2-oxazol-5-yl)-N-[(1S,2R)-2-(cyclohexylamino)cyclobutyl]propanamide

C16H24ClN3O2 — CID 56888336

IUPAC3-(3-chloro-1,2-oxazol-5-yl)-N-[(1S,2R)-2-(cyclohexylamino)cyclobutyl]propanamide
SMILESO=C(CCc1cc(Cl)no1)N[C@H]1CC[C@H]1NC1CCCCC1
InChIInChI=1S/C16H24ClN3O2/c17-15-10-12(22-20-15)6-9-16(21)19-14-8-7-13(14)18-11-4-2-1-3-5-11/h10-11,13-14,18H,1-9H2,(H,19,21)/t13-,14+/m1/s1
InChIKeyOQKOHKYKDXTGHY-KGLIPLIRSA-N
MW325.84 g/mol
LogP2.83
Rot. Bonds6

About 3-(3-chloro-1,2-oxazol-5-yl)-N-[(1S,2R)-2-(cyclohexylamino)cyclobutyl]propanamide

3-(3-chloro-1,2-oxazol-5-yl)-N-[(1S,2R)-2-(cyclohexylamino)cyclobutyl]propanamide (PubChem CID 56888336) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 3-(3-chloro-1,2-oxazol-5-yl)-N-[(1S,2R)-2-(cyclohexylamino)cyclobutyl]propanamide.

Molecular Properties

Compound Name3-(3-chloro-1,2-oxazol-5-yl)-N-[(1S,2R)-2-(cyclohexylamino)cyclobutyl]propanamide
PubChem CID56888336
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name3-(3-chloro-1,2-oxazol-5-yl)-N-[(1S,2R)-2-(cyclohexylamino)cyclobutyl]propanamide
SMILESO=C(CCc1cc(Cl)no1)N[C@H]1CC[C@H]1NC1CCCCC1
InChIInChI=1S/C16H24ClN3O2/c17-15-10-12(22-20-15)6-9-16(21)19-14-8-7-13(14)18-11-4-2-1-3-5-11/h10-11,13-14,18H,1-9H2,(H,19,21)/t13-,14+/m1/s1
InChIKeyOQKOHKYKDXTGHY-KGLIPLIRSA-N
XLogP2.83
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-N-[(1S,2R)-2-(cyclohexylamino)cyclobutyl]propanamide?
The IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-N-[(1S,2R)-2-(cyclohexylamino)cyclobutyl]propanamide (CID 56888336) is 3-(3-chloro-1,2-oxazol-5-yl)-N-[(1S,2R)-2-(cyclohexylamino)cyclobutyl]propanamide.
What is the SMILES notation for 3-(3-chloro-1,2-oxazol-5-yl)-N-[(1S,2R)-2-(cyclohexylamino)cyclobutyl]propanamide?
The canonical SMILES for 3-(3-chloro-1,2-oxazol-5-yl)-N-[(1S,2R)-2-(cyclohexylamino)cyclobutyl]propanamide is O=C(CCc1cc(Cl)no1)N[C@H]1CC[C@H]1NC1CCCCC1.
What is the InChIKey of 3-(3-chloro-1,2-oxazol-5-yl)-N-[(1S,2R)-2-(cyclohexylamino)cyclobutyl]propanamide?
The InChIKey is OQKOHKYKDXTGHY-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H24ClN3O2/c17-15-10-12(22-20-15)6-9-16(21)19-14-8-7-13(14)18-11-4-2-1-3-5-11/h10-11,13-14,18H,1-9H2,(H,19,21)/t13-,14+/m1/s1.
What are the key properties of 3-(3-chloro-1,2-oxazol-5-yl)-N-[(1S,2R)-2-(cyclohexylamino)cyclobutyl]propanamide?
3-(3-chloro-1,2-oxazol-5-yl)-N-[(1S,2R)-2-(cyclohexylamino)cyclobutyl]propanamide has a molecular weight of 325.84 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-1,2-oxazol-5-yl)-N-[(1S,2R)-2-(cyclohexylamino)cyclobutyl]propanamide is sourced from PubChem (CID 56888336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).