2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-(2-methylphenyl)acetic acid

C15H18N2O3 — CID 136550232

IUPAC2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-(2-methylphenyl)acetic acid
SMILESCc1cc(CN(C)C(C(=O)O)c2ccccc2C)no1
InChIInChI=1S/C15H18N2O3/c1-10-6-4-5-7-13(10)14(15(18)19)17(3)9-12-8-11(2)20-16-12/h4-8,14H,9H2,1-3H3,(H,18,19)
InChIKeyKNLRMVPOLIWFIO-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.55
Rot. Bonds5

About 2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-(2-methylphenyl)acetic acid

2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-(2-methylphenyl)acetic acid (PubChem CID 136550232) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-(2-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-(2-methylphenyl)acetic acid
PubChem CID136550232
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-(2-methylphenyl)acetic acid
SMILESCc1cc(CN(C)C(C(=O)O)c2ccccc2C)no1
InChIInChI=1S/C15H18N2O3/c1-10-6-4-5-7-13(10)14(15(18)19)17(3)9-12-8-11(2)20-16-12/h4-8,14H,9H2,1-3H3,(H,18,19)
InChIKeyKNLRMVPOLIWFIO-UHFFFAOYSA-N
XLogP2.55
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl(methyl)amino]-2-(2-methylphenyl)acetic acid
CID 63703755
2-[(6-methoxy-3-pyridinyl)methyl-methylamino]-2-(2-methylphenyl)acetic acid
CID 167971767
3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpropanamide
CID 43588867
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-oxo-4-phenylbutanamide
CID 86979897
2-anilino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide;hydrochloride
CID 119729314
2-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]benzoic acid
CID 115923697
1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 47760357
2-methyl-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid
CID 62821268
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110622054
2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-(phenylcarbamoyl)acetamide
CID 36968374
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

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-(2-methylphenyl)acetic acid?
The IUPAC name of 2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-(2-methylphenyl)acetic acid (CID 136550232) is 2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-(2-methylphenyl)acetic acid.
What is the SMILES notation for 2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-(2-methylphenyl)acetic acid?
The canonical SMILES for 2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-(2-methylphenyl)acetic acid is Cc1cc(CN(C)C(C(=O)O)c2ccccc2C)no1.
What is the InChIKey of 2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-(2-methylphenyl)acetic acid?
The InChIKey is KNLRMVPOLIWFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-6-4-5-7-13(10)14(15(18)19)17(3)9-12-8-11(2)20-16-12/h4-8,14H,9H2,1-3H3,(H,18,19).
What are the key properties of 2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-(2-methylphenyl)acetic acid?
2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-(2-methylphenyl)acetic acid has a molecular weight of 274.32 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-(2-methylphenyl)acetic acid is sourced from PubChem (CID 136550232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).