N-ethyl-5-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-3-carboxamide

C13H21N3O2 — CID 79720535

IUPACN-ethyl-5-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCCN(CC1CCNCC1)C(=O)c1cc(C)on1
InChIInChI=1S/C13H21N3O2/c1-3-16(9-11-4-6-14-7-5-11)13(17)12-8-10(2)18-15-12/h8,11,14H,3-7,9H2,1-2H3
InChIKeyMELYOIKHZZXRDN-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.44
Rot. Bonds4

About N-ethyl-5-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-3-carboxamide

N-ethyl-5-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 79720535) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-ethyl-5-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID79720535
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-ethyl-5-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCCN(CC1CCNCC1)C(=O)c1cc(C)on1
InChIInChI=1S/C13H21N3O2/c1-3-16(9-11-4-6-14-7-5-11)13(17)12-8-10(2)18-15-12/h8,11,14H,3-7,9H2,1-2H3
InChIKeyMELYOIKHZZXRDN-UHFFFAOYSA-N
XLogP1.44
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-methyl-N-piperidin-4-yl-1,2-oxazole-3-carboxamide
CID 60805893
2-[cyclopropylmethyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 43655885
N-ethyl-N-(piperidin-4-ylmethyl)-1,2,5-thiadiazole-3-carboxamide
CID 79720691
N-ethyl-2-methyl-N-(piperidin-4-ylmethyl)furan-3-carboxamide
CID 79720319
N-(2-bromoethyl)-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide
CID 80660169
N-ethyl-N-(piperidin-4-ylmethyl)furan-2-carboxamide
CID 79720984
5-chloro-N-ethyl-2-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 82883488
N-ethyl-2,6-dihydroxy-N-(piperidin-4-ylmethyl)benzamide
CID 107690375
N-ethyl-4-methoxy-N-(piperidin-4-ylmethyl)benzamide
CID 79721421
4-ethoxy-N-ethyl-N-(piperidin-4-ylmethyl)benzamide
CID 79698338
N-(cyclopropylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide
CID 63954765
5-methyl-N,N-bis(prop-2-enyl)-1,2-oxazole-3-carboxamide
CID 25237561

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-ethyl-5-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-3-carboxamide (CID 79720535) is N-ethyl-5-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-ethyl-5-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-ethyl-5-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-3-carboxamide is CCN(CC1CCNCC1)C(=O)c1cc(C)on1.
What is the InChIKey of N-ethyl-5-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is MELYOIKHZZXRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-16(9-11-4-6-14-7-5-11)13(17)12-8-10(2)18-15-12/h8,11,14H,3-7,9H2,1-2H3.
What are the key properties of N-ethyl-5-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
N-ethyl-5-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 79720535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).