[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-(pyrimidin-2-ylamino)propanoate

C19H19N5O4 — CID 55702175

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-(pyrimidin-2-ylamino)propanoate
SMILESCc1cc(NC(=O)C(OC(=O)CCNc2ncccn2)c2ccccc2)no1
InChIInChI=1S/C19H19N5O4/c1-13-12-15(24-28-13)23-18(26)17(14-6-3-2-4-7-14)27-16(25)8-11-22-19-20-9-5-10-21-19/h2-7,9-10,12,17H,8,11H2,1H3,(H,20,21,22)(H,23,24,26)
InChIKeyNVPLDQKBSGFGTO-UHFFFAOYSA-N
MW381.39 g/mol
LogP2.50
Rot. Bonds8

About [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-(pyrimidin-2-ylamino)propanoate

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-(pyrimidin-2-ylamino)propanoate (PubChem CID 55702175) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-(pyrimidin-2-ylamino)propanoate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-(pyrimidin-2-ylamino)propanoate
PubChem CID55702175
Molecular FormulaC19H19N5O4
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-(pyrimidin-2-ylamino)propanoate
SMILESCc1cc(NC(=O)C(OC(=O)CCNc2ncccn2)c2ccccc2)no1
InChIInChI=1S/C19H19N5O4/c1-13-12-15(24-28-13)23-18(26)17(14-6-3-2-4-7-14)27-16(25)8-11-22-19-20-9-5-10-21-19/h2-7,9-10,12,17H,8,11H2,1H3,(H,20,21,22)(H,23,24,26)
InChIKeyNVPLDQKBSGFGTO-UHFFFAOYSA-N
XLogP2.50
TPSA119.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 3-(pyrimidin-2-ylamino)propanoate
CID 55701259
[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 27323769
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-pyridin-2-ylprop-2-enoate
CID 55739686
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate
CID 18151710
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-benzamidobutanoate
CID 55450290
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 4-iodobenzoate
CID 46644590
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate
CID 55445511
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 2,5-dimethylbenzoate
CID 46644601
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 5-methylfuran-2-carboxylate
CID 17437026
[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 5-methylfuran-2-carboxylate
CID 40798708
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3,5-dimethoxy-4-methylbenzoate
CID 46645148
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 4-fluorobenzoate
CID 17415012

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-(pyrimidin-2-ylamino)propanoate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-(pyrimidin-2-ylamino)propanoate (CID 55702175) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-(pyrimidin-2-ylamino)propanoate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-(pyrimidin-2-ylamino)propanoate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-(pyrimidin-2-ylamino)propanoate is Cc1cc(NC(=O)C(OC(=O)CCNc2ncccn2)c2ccccc2)no1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-(pyrimidin-2-ylamino)propanoate?
The InChIKey is NVPLDQKBSGFGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4/c1-13-12-15(24-28-13)23-18(26)17(14-6-3-2-4-7-14)27-16(25)8-11-22-19-20-9-5-10-21-19/h2-7,9-10,12,17H,8,11H2,1H3,(H,20,21,22)(H,23,24,26).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-(pyrimidin-2-ylamino)propanoate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-(pyrimidin-2-ylamino)propanoate has a molecular weight of 381.39 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-(pyrimidin-2-ylamino)propanoate is sourced from PubChem (CID 55702175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).