N-cyclohexyl-N-methyl-3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propanamide

C16H25N3O3 — CID 97446000

IUPACN-cyclohexyl-N-methyl-3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propanamide
SMILESCN(C(=O)CCc1nc([C@@H]2CCOC2)no1)C1CCCCC1
InChIInChI=1S/C16H25N3O3/c1-19(13-5-3-2-4-6-13)15(20)8-7-14-17-16(18-22-14)12-9-10-21-11-12/h12-13H,2-11H2,1H3/t12-/m1/s1
InChIKeyNZWBONNSAXTHTP-GFCCVEGCSA-N
MW307.39 g/mol
LogP2.30
Rot. Bonds5

About N-cyclohexyl-N-methyl-3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propanamide

N-cyclohexyl-N-methyl-3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 97446000) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID97446000
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-cyclohexyl-N-methyl-3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propanamide
SMILESCN(C(=O)CCc1nc([C@@H]2CCOC2)no1)C1CCCCC1
InChIInChI=1S/C16H25N3O3/c1-19(13-5-3-2-4-6-13)15(20)8-7-14-17-16(18-22-14)12-9-10-21-11-12/h12-13H,2-11H2,1H3/t12-/m1/s1
InChIKeyNZWBONNSAXTHTP-GFCCVEGCSA-N
XLogP2.30
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-cyclohexyl-N-methyl-3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propanamide (CID 97446000) is N-cyclohexyl-N-methyl-3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-cyclohexyl-N-methyl-3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propanamide is CN(C(=O)CCc1nc([C@@H]2CCOC2)no1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is NZWBONNSAXTHTP-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-19(13-5-3-2-4-6-13)15(20)8-7-14-17-16(18-22-14)12-9-10-21-11-12/h12-13H,2-11H2,1H3/t12-/m1/s1.
What are the key properties of N-cyclohexyl-N-methyl-3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propanamide?
N-cyclohexyl-N-methyl-3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 307.39 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 97446000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).