N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide

C12H16N4O3 — CID 56755280

IUPACN-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCc1noc(CN(C)C(=O)c2cc(C(C)C)no2)n1
InChIInChI=1S/C12H16N4O3/c1-7(2)9-5-10(18-15-9)12(17)16(4)6-11-13-8(3)14-19-11/h5,7H,6H2,1-4H3
InChIKeyBVZVBLVOTVPMRO-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.76
Rot. Bonds4

About N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide

N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide (PubChem CID 56755280) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
PubChem CID56755280
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC NameN-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCc1noc(CN(C)C(=O)c2cc(C(C)C)no2)n1
InChIInChI=1S/C12H16N4O3/c1-7(2)9-5-10(18-15-9)12(17)16(4)6-11-13-8(3)14-19-11/h5,7H,6H2,1-4H3
InChIKeyBVZVBLVOTVPMRO-UHFFFAOYSA-N
XLogP1.76
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide (CID 56755280) is N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide is Cc1noc(CN(C)C(=O)c2cc(C(C)C)no2)n1.
What is the InChIKey of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The InChIKey is BVZVBLVOTVPMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-7(2)9-5-10(18-15-9)12(17)16(4)6-11-13-8(3)14-19-11/h5,7H,6H2,1-4H3.
What are the key properties of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide has a molecular weight of 264.28 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 56755280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).