ethyl N-[2-methyl-3-[[(2R)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]amino]phenyl]carbamate

C17H22N4O4 — CID 94797288

IUPACethyl N-[2-methyl-3-[[(2R)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]amino]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(N[C@H](C)C(=O)Nc2cc(C)no2)c1C
InChIInChI=1S/C17H22N4O4/c1-5-24-17(23)19-14-8-6-7-13(11(14)3)18-12(4)16(22)20-15-9-10(2)21-25-15/h6-9,12,18H,5H2,1-4H3,(H,19,23)(H,20,22)/t12-/m1/s1
InChIKeyBYZUYROTVTWXNL-GFCCVEGCSA-N
MW346.39 g/mol
LogP3.30
Rot. Bonds6

About ethyl N-[2-methyl-3-[[(2R)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]amino]phenyl]carbamate

ethyl N-[2-methyl-3-[[(2R)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]amino]phenyl]carbamate (PubChem CID 94797288) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is ethyl N-[2-methyl-3-[[(2R)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]amino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-methyl-3-[[(2R)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]amino]phenyl]carbamate
PubChem CID94797288
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Nameethyl N-[2-methyl-3-[[(2R)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]amino]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(N[C@H](C)C(=O)Nc2cc(C)no2)c1C
InChIInChI=1S/C17H22N4O4/c1-5-24-17(23)19-14-8-6-7-13(11(14)3)18-12(4)16(22)20-15-9-10(2)21-25-15/h6-9,12,18H,5H2,1-4H3,(H,19,23)(H,20,22)/t12-/m1/s1
InChIKeyBYZUYROTVTWXNL-GFCCVEGCSA-N
XLogP3.30
TPSA105.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-methyl-3-[[(2R)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]amino]phenyl]carbamate?
The IUPAC name of ethyl N-[2-methyl-3-[[(2R)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]amino]phenyl]carbamate (CID 94797288) is ethyl N-[2-methyl-3-[[(2R)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]amino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[2-methyl-3-[[(2R)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]amino]phenyl]carbamate?
The canonical SMILES for ethyl N-[2-methyl-3-[[(2R)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]amino]phenyl]carbamate is CCOC(=O)Nc1cccc(N[C@H](C)C(=O)Nc2cc(C)no2)c1C.
What is the InChIKey of ethyl N-[2-methyl-3-[[(2R)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]amino]phenyl]carbamate?
The InChIKey is BYZUYROTVTWXNL-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-5-24-17(23)19-14-8-6-7-13(11(14)3)18-12(4)16(22)20-15-9-10(2)21-25-15/h6-9,12,18H,5H2,1-4H3,(H,19,23)(H,20,22)/t12-/m1/s1.
What are the key properties of ethyl N-[2-methyl-3-[[(2R)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]amino]phenyl]carbamate?
ethyl N-[2-methyl-3-[[(2R)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]amino]phenyl]carbamate has a molecular weight of 346.39 g/mol, XLogP of 3.30, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-methyl-3-[[(2R)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]amino]phenyl]carbamate is sourced from PubChem (CID 94797288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).