(4S)-1-cyclohexyl-4-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one

C18H24N4O3 — CID 99746206

IUPAC(4S)-1-cyclohexyl-4-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
SMILESCc1noc(C)c1Cc1nc([C@H]2CC(=O)N(C3CCCCC3)C2)no1
InChIInChI=1S/C18H24N4O3/c1-11-15(12(2)24-20-11)9-16-19-18(21-25-16)13-8-17(23)22(10-13)14-6-4-3-5-7-14/h13-14H,3-10H2,1-2H3/t13-/m0/s1
InChIKeyYVHWEIMAPXREEM-ZDUSSCGKSA-N
MW344.42 g/mol
LogP2.91
Rot. Bonds4

About (4S)-1-cyclohexyl-4-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one

(4S)-1-cyclohexyl-4-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one (PubChem CID 99746206) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is (4S)-1-cyclohexyl-4-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-cyclohexyl-4-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
PubChem CID99746206
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name(4S)-1-cyclohexyl-4-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
SMILESCc1noc(C)c1Cc1nc([C@H]2CC(=O)N(C3CCCCC3)C2)no1
InChIInChI=1S/C18H24N4O3/c1-11-15(12(2)24-20-11)9-16-19-18(21-25-16)13-8-17(23)22(10-13)14-6-4-3-5-7-14/h13-14H,3-10H2,1-2H3/t13-/m0/s1
InChIKeyYVHWEIMAPXREEM-ZDUSSCGKSA-N
XLogP2.91
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-cyclohexyl-4-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-cyclohexyl-4-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one (CID 99746206) is (4S)-1-cyclohexyl-4-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-cyclohexyl-4-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-cyclohexyl-4-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one is Cc1noc(C)c1Cc1nc([C@H]2CC(=O)N(C3CCCCC3)C2)no1.
What is the InChIKey of (4S)-1-cyclohexyl-4-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
The InChIKey is YVHWEIMAPXREEM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-11-15(12(2)24-20-11)9-16-19-18(21-25-16)13-8-17(23)22(10-13)14-6-4-3-5-7-14/h13-14H,3-10H2,1-2H3/t13-/m0/s1.
What are the key properties of (4S)-1-cyclohexyl-4-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
(4S)-1-cyclohexyl-4-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one has a molecular weight of 344.42 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-cyclohexyl-4-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 99746206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).