N-methyl-N-[4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]phenyl]acetamide

C16H20N4O3 — CID 86862693

IUPACN-methyl-N-[4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]phenyl]acetamide
SMILESCC(=O)N(C)c1ccc(NC(=O)N(C)Cc2cc(C)on2)cc1
InChIInChI=1S/C16H20N4O3/c1-11-9-14(18-23-11)10-19(3)16(22)17-13-5-7-15(8-6-13)20(4)12(2)21/h5-9H,10H2,1-4H3,(H,17,22)
InChIKeyJYZADENSSWDSKM-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.63
Rot. Bonds4

About N-methyl-N-[4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]phenyl]acetamide

N-methyl-N-[4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]phenyl]acetamide (PubChem CID 86862693) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-methyl-N-[4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]phenyl]acetamide
PubChem CID86862693
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-methyl-N-[4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]phenyl]acetamide
SMILESCC(=O)N(C)c1ccc(NC(=O)N(C)Cc2cc(C)on2)cc1
InChIInChI=1S/C16H20N4O3/c1-11-9-14(18-23-11)10-19(3)16(22)17-13-5-7-15(8-6-13)20(4)12(2)21/h5-9H,10H2,1-4H3,(H,17,22)
InChIKeyJYZADENSSWDSKM-UHFFFAOYSA-N
XLogP2.63
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-difluorophenyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 47194688
butyl 4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]benzoate
CID 47039960
3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 86994510
3-(2-bromoprop-2-enyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 47442443
N-[4-[(2R)-2-hydroxy-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propoxy]phenyl]acetamide
CID 36970741
2-anilino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide;hydrochloride
CID 119729314
N-(4-methoxyphenyl)-5-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 55680236
2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 43588863
3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 43588860
2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-(phenylcarbamoyl)acetamide
CID 36968374
4-bromo-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 113338807
N-[4-[acetyl(methyl)amino]phenyl]-5-methylfuran-2-carboxamide
CID 17173460

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]phenyl]acetamide?
The IUPAC name of N-methyl-N-[4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]phenyl]acetamide (CID 86862693) is N-methyl-N-[4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]phenyl]acetamide.
What is the SMILES notation for N-methyl-N-[4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]phenyl]acetamide?
The canonical SMILES for N-methyl-N-[4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]phenyl]acetamide is CC(=O)N(C)c1ccc(NC(=O)N(C)Cc2cc(C)on2)cc1.
What is the InChIKey of N-methyl-N-[4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]phenyl]acetamide?
The InChIKey is JYZADENSSWDSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-11-9-14(18-23-11)10-19(3)16(22)17-13-5-7-15(8-6-13)20(4)12(2)21/h5-9H,10H2,1-4H3,(H,17,22).
What are the key properties of N-methyl-N-[4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]phenyl]acetamide?
N-methyl-N-[4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]phenyl]acetamide has a molecular weight of 316.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]phenyl]acetamide is sourced from PubChem (CID 86862693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).