N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-3-yl]acetamide

C19H31N3O3 — CID 71927170

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-3-yl]acetamide
SMILESCCc1cnc(CN(C(C)=O)C2CCN(CC3(O)CCCCC3)C2)o1
InChIInChI=1S/C19H31N3O3/c1-3-17-11-20-18(25-17)13-22(15(2)23)16-7-10-21(12-16)14-19(24)8-5-4-6-9-19/h11,16,24H,3-10,12-14H2,1-2H3
InChIKeyMPJQWXCTLDEUCG-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.36
Rot. Bonds6

About N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-3-yl]acetamide

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-3-yl]acetamide (PubChem CID 71927170) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-3-yl]acetamide
PubChem CID71927170
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-3-yl]acetamide
SMILESCCc1cnc(CN(C(C)=O)C2CCN(CC3(O)CCCCC3)C2)o1
InChIInChI=1S/C19H31N3O3/c1-3-17-11-20-18(25-17)13-22(15(2)23)16-7-10-21(12-16)14-19(24)8-5-4-6-9-19/h11,16,24H,3-10,12-14H2,1-2H3
InChIKeyMPJQWXCTLDEUCG-UHFFFAOYSA-N
XLogP2.36
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-3-yl]acetamide (CID 71927170) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-3-yl]acetamide is CCc1cnc(CN(C(C)=O)C2CCN(CC3(O)CCCCC3)C2)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-3-yl]acetamide?
The InChIKey is MPJQWXCTLDEUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-3-17-11-20-18(25-17)13-22(15(2)23)16-7-10-21(12-16)14-19(24)8-5-4-6-9-19/h11,16,24H,3-10,12-14H2,1-2H3.
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-3-yl]acetamide?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-3-yl]acetamide has a molecular weight of 349.48 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 71927170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).