2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-hydroxycycloheptyl)methyl]propanamide

C16H26N2O3 — CID 111428719

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-hydroxycycloheptyl)methyl]propanamide
SMILESCc1noc(C)c1C(C)C(=O)NCC1(O)CCCCCC1
InChIInChI=1S/C16H26N2O3/c1-11(14-12(2)18-21-13(14)3)15(19)17-10-16(20)8-6-4-5-7-9-16/h11,20H,4-10H2,1-3H3,(H,17,19)
InChIKeyABHSAZWCBFCIJJ-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.60
Rot. Bonds4

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-hydroxycycloheptyl)methyl]propanamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-hydroxycycloheptyl)methyl]propanamide (PubChem CID 111428719) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-hydroxycycloheptyl)methyl]propanamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-hydroxycycloheptyl)methyl]propanamide
PubChem CID111428719
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-hydroxycycloheptyl)methyl]propanamide
SMILESCc1noc(C)c1C(C)C(=O)NCC1(O)CCCCCC1
InChIInChI=1S/C16H26N2O3/c1-11(14-12(2)18-21-13(14)3)15(19)17-10-16(20)8-6-4-5-7-9-16/h11,20H,4-10H2,1-3H3,(H,17,19)
InChIKeyABHSAZWCBFCIJJ-UHFFFAOYSA-N
XLogP2.60
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-hydroxycycloheptyl)methyl]propanamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-hydroxycycloheptyl)methyl]propanamide (CID 111428719) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-hydroxycycloheptyl)methyl]propanamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-hydroxycycloheptyl)methyl]propanamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-hydroxycycloheptyl)methyl]propanamide is Cc1noc(C)c1C(C)C(=O)NCC1(O)CCCCCC1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-hydroxycycloheptyl)methyl]propanamide?
The InChIKey is ABHSAZWCBFCIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-11(14-12(2)18-21-13(14)3)15(19)17-10-16(20)8-6-4-5-7-9-16/h11,20H,4-10H2,1-3H3,(H,17,19).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-hydroxycycloheptyl)methyl]propanamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-hydroxycycloheptyl)methyl]propanamide has a molecular weight of 294.39 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-hydroxycycloheptyl)methyl]propanamide is sourced from PubChem (CID 111428719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).