N-(1H-imidazol-2-ylmethyl)-N-methyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide

C12H18N4O2 — CID 77094116

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(C)C1=NOC(C(=O)N(C)Cc2ncc[nH]2)C1
InChIInChI=1S/C12H18N4O2/c1-8(2)9-6-10(18-15-9)12(17)16(3)7-11-13-4-5-14-11/h4-5,8,10H,6-7H2,1-3H3,(H,13,14)
InChIKeyLZGVXMUPHSJPBZ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.17
Rot. Bonds4

About N-(1H-imidazol-2-ylmethyl)-N-methyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide

N-(1H-imidazol-2-ylmethyl)-N-methyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 77094116) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID77094116
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(C)C1=NOC(C(=O)N(C)Cc2ncc[nH]2)C1
InChIInChI=1S/C12H18N4O2/c1-8(2)9-6-10(18-15-9)12(17)16(3)7-11-13-4-5-14-11/h4-5,8,10H,6-7H2,1-3H3,(H,13,14)
InChIKeyLZGVXMUPHSJPBZ-UHFFFAOYSA-N
XLogP1.17
TPSA70.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 77094116) is N-(1H-imidazol-2-ylmethyl)-N-methyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is CC(C)C1=NOC(C(=O)N(C)Cc2ncc[nH]2)C1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is LZGVXMUPHSJPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8(2)9-6-10(18-15-9)12(17)16(3)7-11-13-4-5-14-11/h4-5,8,10H,6-7H2,1-3H3,(H,13,14).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-(1H-imidazol-2-ylmethyl)-N-methyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 77094116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).