N-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]-2-(oxolan-2-yl)morpholine-4-carboxamide

C18H27N3O4 — CID 155950679

IUPACN-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]-2-(oxolan-2-yl)morpholine-4-carboxamide
SMILESCC1(c2cc(NC(=O)N3CCOC(C4CCCO4)C3)no2)CCCC1
InChIInChI=1S/C18H27N3O4/c1-18(6-2-3-7-18)15-11-16(20-25-15)19-17(22)21-8-10-24-14(12-21)13-5-4-9-23-13/h11,13-14H,2-10,12H2,1H3,(H,19,20,22)
InChIKeyUAOSHKQIMFQPAW-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.92
Rot. Bonds3

About N-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]-2-(oxolan-2-yl)morpholine-4-carboxamide

N-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]-2-(oxolan-2-yl)morpholine-4-carboxamide (PubChem CID 155950679) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]-2-(oxolan-2-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]-2-(oxolan-2-yl)morpholine-4-carboxamide
PubChem CID155950679
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC NameN-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]-2-(oxolan-2-yl)morpholine-4-carboxamide
SMILESCC1(c2cc(NC(=O)N3CCOC(C4CCCO4)C3)no2)CCCC1
InChIInChI=1S/C18H27N3O4/c1-18(6-2-3-7-18)15-11-16(20-25-15)19-17(22)21-8-10-24-14(12-21)13-5-4-9-23-13/h11,13-14H,2-10,12H2,1H3,(H,19,20,22)
InChIKeyUAOSHKQIMFQPAW-UHFFFAOYSA-N
XLogP2.92
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]-2-(oxolan-2-yl)morpholine-4-carboxamide?
The IUPAC name of N-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]-2-(oxolan-2-yl)morpholine-4-carboxamide (CID 155950679) is N-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]-2-(oxolan-2-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]-2-(oxolan-2-yl)morpholine-4-carboxamide?
The canonical SMILES for N-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]-2-(oxolan-2-yl)morpholine-4-carboxamide is CC1(c2cc(NC(=O)N3CCOC(C4CCCO4)C3)no2)CCCC1.
What is the InChIKey of N-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]-2-(oxolan-2-yl)morpholine-4-carboxamide?
The InChIKey is UAOSHKQIMFQPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-18(6-2-3-7-18)15-11-16(20-25-15)19-17(22)21-8-10-24-14(12-21)13-5-4-9-23-13/h11,13-14H,2-10,12H2,1H3,(H,19,20,22).
What are the key properties of N-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]-2-(oxolan-2-yl)morpholine-4-carboxamide?
N-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]-2-(oxolan-2-yl)morpholine-4-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]-2-(oxolan-2-yl)morpholine-4-carboxamide is sourced from PubChem (CID 155950679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).