5-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]anilino]pyrazine-2-carbonitrile;4-[2-[4-[(5-methoxypyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine

C32H35N11O3 — CID 67513218

IUPAC5-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]anilino]pyrazine-2-carbonitrile;4-[2-[4-[(5-methoxypyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCOc1cnc(Nc2ccc(CCC3COC(N)=N3)cc2)nc1.N#Cc1cnc(Nc2ccc(CCC3COC(N)=N3)cc2)cn1
InChIInChI=1S/C16H16N6O.C16H19N5O2/c17-7-14-8-20-15(9-19-14)21-12-4-1-11(2-5-12)3-6-13-10-23-16(18)22-13;1-22-14-8-18-16(19-9-14)21-12-5-2-11(3-6-12)4-7-13-10-23-15(17)20-13/h1-2,4-5,8-9,13H,3,6,10H2,(H2,18,22)(H,20,21);2-3,5-6,8-9,13H,4,7,10H2,1H3,(H2,17,20)(H,18,19,21)
InChIKeyQOVKEWPJQNYMQK-UHFFFAOYSA-N
MW621.71 g/mol
LogP3.61
Rot. Bonds11

About 5-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]anilino]pyrazine-2-carbonitrile;4-[2-[4-[(5-methoxypyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine

5-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]anilino]pyrazine-2-carbonitrile;4-[2-[4-[(5-methoxypyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 67513218) has the molecular formula C32H35N11O3 and a molecular weight of 621.71 g/mol. Its IUPAC name is 5-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]anilino]pyrazine-2-carbonitrile;4-[2-[4-[(5-methoxypyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]anilino]pyrazine-2-carbonitrile;4-[2-[4-[(5-methoxypyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID67513218
Molecular FormulaC32H35N11O3
Molecular Weight621.71 g/mol
Exact Mass621.29
IUPAC Name5-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]anilino]pyrazine-2-carbonitrile;4-[2-[4-[(5-methoxypyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCOc1cnc(Nc2ccc(CCC3COC(N)=N3)cc2)nc1.N#Cc1cnc(Nc2ccc(CCC3COC(N)=N3)cc2)cn1
InChIInChI=1S/C16H16N6O.C16H19N5O2/c17-7-14-8-20-15(9-19-14)21-12-4-1-11(2-5-12)3-6-13-10-23-16(18)22-13;1-22-14-8-18-16(19-9-14)21-12-5-2-11(3-6-12)4-7-13-10-23-15(17)20-13/h1-2,4-5,8-9,13H,3,6,10H2,(H2,18,22)(H,20,21);2-3,5-6,8-9,13H,4,7,10H2,1H3,(H2,17,20)(H,18,19,21)
InChIKeyQOVKEWPJQNYMQK-UHFFFAOYSA-N
XLogP3.61
TPSA203.86 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.71
LogP ≤ 53.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 5-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]anilino]pyrazine-2-carbonitrile;4-[2-[4-[(5-methoxypyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]anilino]pyrazine-2-carbonitrile;4-[2-[4-[(5-methoxypyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 5-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]anilino]pyrazine-2-carbonitrile;4-[2-[4-[(5-methoxypyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 67513218) is 5-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]anilino]pyrazine-2-carbonitrile;4-[2-[4-[(5-methoxypyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 5-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]anilino]pyrazine-2-carbonitrile;4-[2-[4-[(5-methoxypyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 5-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]anilino]pyrazine-2-carbonitrile;4-[2-[4-[(5-methoxypyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine is COc1cnc(Nc2ccc(CCC3COC(N)=N3)cc2)nc1.N#Cc1cnc(Nc2ccc(CCC3COC(N)=N3)cc2)cn1.
What is the InChIKey of 5-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]anilino]pyrazine-2-carbonitrile;4-[2-[4-[(5-methoxypyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is QOVKEWPJQNYMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O.C16H19N5O2/c17-7-14-8-20-15(9-19-14)21-12-4-1-11(2-5-12)3-6-13-10-23-16(18)22-13;1-22-14-8-18-16(19-9-14)21-12-5-2-11(3-6-12)4-7-13-10-23-15(17)20-13/h1-2,4-5,8-9,13H,3,6,10H2,(H2,18,22)(H,20,21);2-3,5-6,8-9,13H,4,7,10H2,1H3,(H2,17,20)(H,18,19,21).
What are the key properties of 5-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]anilino]pyrazine-2-carbonitrile;4-[2-[4-[(5-methoxypyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
5-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]anilino]pyrazine-2-carbonitrile;4-[2-[4-[(5-methoxypyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 621.71 g/mol, XLogP of 3.61, 11 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]anilino]pyrazine-2-carbonitrile;4-[2-[4-[(5-methoxypyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 67513218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).