N-(2-aminoethyl)-5-methyl-2-(1-methylpyrazol-4-yl)-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide

C19H23N5O2 — CID 120886218

IUPACN-(2-aminoethyl)-5-methyl-2-(1-methylpyrazol-4-yl)-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2cnn(C)c2)nc1C(=O)N(CCN)CCc1ccccc1
InChIInChI=1S/C19H23N5O2/c1-14-17(22-18(26-14)16-12-21-23(2)13-16)19(25)24(11-9-20)10-8-15-6-4-3-5-7-15/h3-7,12-13H,8-11,20H2,1-2H3
InChIKeyLZGNSQIPUZGBTG-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.03
Rot. Bonds7

About N-(2-aminoethyl)-5-methyl-2-(1-methylpyrazol-4-yl)-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide

N-(2-aminoethyl)-5-methyl-2-(1-methylpyrazol-4-yl)-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide (PubChem CID 120886218) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-methyl-2-(1-methylpyrazol-4-yl)-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-methyl-2-(1-methylpyrazol-4-yl)-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide
PubChem CID120886218
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-(2-aminoethyl)-5-methyl-2-(1-methylpyrazol-4-yl)-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2cnn(C)c2)nc1C(=O)N(CCN)CCc1ccccc1
InChIInChI=1S/C19H23N5O2/c1-14-17(22-18(26-14)16-12-21-23(2)13-16)19(25)24(11-9-20)10-8-15-6-4-3-5-7-15/h3-7,12-13H,8-11,20H2,1-2H3
InChIKeyLZGNSQIPUZGBTG-UHFFFAOYSA-N
XLogP2.03
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-methyl-2-(1-methylpyrazol-4-yl)-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-5-methyl-2-(1-methylpyrazol-4-yl)-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide (CID 120886218) is N-(2-aminoethyl)-5-methyl-2-(1-methylpyrazol-4-yl)-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-5-methyl-2-(1-methylpyrazol-4-yl)-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-5-methyl-2-(1-methylpyrazol-4-yl)-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide is Cc1oc(-c2cnn(C)c2)nc1C(=O)N(CCN)CCc1ccccc1.
What is the InChIKey of N-(2-aminoethyl)-5-methyl-2-(1-methylpyrazol-4-yl)-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is LZGNSQIPUZGBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-14-17(22-18(26-14)16-12-21-23(2)13-16)19(25)24(11-9-20)10-8-15-6-4-3-5-7-15/h3-7,12-13H,8-11,20H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-5-methyl-2-(1-methylpyrazol-4-yl)-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide?
N-(2-aminoethyl)-5-methyl-2-(1-methylpyrazol-4-yl)-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-methyl-2-(1-methylpyrazol-4-yl)-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 120886218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).