2-[[2-(4-bromophenyl)-5-methyl-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid

C19H16BrN3O4 — CID 24802747

IUPAC2-[[2-(4-bromophenyl)-5-methyl-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid
SMILESCc1oc(-c2ccc(Br)cc2)nc1C(=O)N(CC(=O)O)Cc1ccccn1
InChIInChI=1S/C19H16BrN3O4/c1-12-17(22-18(27-12)13-5-7-14(20)8-6-13)19(26)23(11-16(24)25)10-15-4-2-3-9-21-15/h2-9H,10-11H2,1H3,(H,24,25)
InChIKeyYANFHAKVMRVJEH-UHFFFAOYSA-N
MW430.26 g/mol
LogP3.53
Rot. Bonds6

About 2-[[2-(4-bromophenyl)-5-methyl-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid

2-[[2-(4-bromophenyl)-5-methyl-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid (PubChem CID 24802747) has the molecular formula C19H16BrN3O4 and a molecular weight of 430.26 g/mol. Its IUPAC name is 2-[[2-(4-bromophenyl)-5-methyl-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-bromophenyl)-5-methyl-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid
PubChem CID24802747
Molecular FormulaC19H16BrN3O4
Molecular Weight430.26 g/mol
Exact Mass429.03
IUPAC Name2-[[2-(4-bromophenyl)-5-methyl-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid
SMILESCc1oc(-c2ccc(Br)cc2)nc1C(=O)N(CC(=O)O)Cc1ccccn1
InChIInChI=1S/C19H16BrN3O4/c1-12-17(22-18(27-12)13-5-7-14(20)8-6-13)19(26)23(11-16(24)25)10-15-4-2-3-9-21-15/h2-9H,10-11H2,1H3,(H,24,25)
InChIKeyYANFHAKVMRVJEH-UHFFFAOYSA-N
XLogP3.53
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.26
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(4-bromophenyl)-5-methyl-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid with MolForge

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Related Compounds

2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid
CID 44570996
2-[[5-(chloromethyl)-2-phenyl-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid
CID 68708511
2-[[5-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid
CID 44570875
2-[(5-methyl-2-phenyltriazole-4-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid
CID 24805230
2-[(2-chloro-4-methyl-1,3-thiazole-5-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid
CID 68715608
2-[2,2-dimethylpropanoyl(pyridin-2-ylmethyl)amino]acetic acid
CID 20627822
2-[[2-(3-acetyloxyphenyl)-4-methyl-1,3-oxazole-5-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid
CID 24805060
N-[2-(dimethylamino)ethyl]-4-methyl-2-phenyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-5-carboxamide
CID 126773744
2-(4-bromophenoxy)ethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726627
[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino] acetate
CID 87582312
2-[[3-[(2,6-dimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid
CID 57423616
N-[3-(4-bromoanilino)-3-oxopropyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 55951068

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromophenyl)-5-methyl-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[[2-(4-bromophenyl)-5-methyl-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid (CID 24802747) is 2-[[2-(4-bromophenyl)-5-methyl-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(4-bromophenyl)-5-methyl-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(4-bromophenyl)-5-methyl-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid is Cc1oc(-c2ccc(Br)cc2)nc1C(=O)N(CC(=O)O)Cc1ccccn1.
What is the InChIKey of 2-[[2-(4-bromophenyl)-5-methyl-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid?
The InChIKey is YANFHAKVMRVJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O4/c1-12-17(22-18(27-12)13-5-7-14(20)8-6-13)19(26)23(11-16(24)25)10-15-4-2-3-9-21-15/h2-9H,10-11H2,1H3,(H,24,25).
What are the key properties of 2-[[2-(4-bromophenyl)-5-methyl-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid?
2-[[2-(4-bromophenyl)-5-methyl-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid has a molecular weight of 430.26 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromophenyl)-5-methyl-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid is sourced from PubChem (CID 24802747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).