2-amino-N-[2-chloro-5-[1-[3-(methylamino)propyl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide

C17H19ClN6O2 — CID 135186921

IUPAC2-amino-N-[2-chloro-5-[1-[3-(methylamino)propyl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide
SMILESCNCCCn1cc(-c2ccc(Cl)c(NC(=O)c3coc(N)n3)c2)cn1
InChIInChI=1S/C17H19ClN6O2/c1-20-5-2-6-24-9-12(8-21-24)11-3-4-13(18)14(7-11)22-16(25)15-10-26-17(19)23-15/h3-4,7-10,20H,2,5-6H2,1H3,(H2,19,23)(H,22,25)
InChIKeyBLGAGQFRRMNZPQ-UHFFFAOYSA-N
MW374.83 g/mol
LogP2.64
Rot. Bonds7

About 2-amino-N-[2-chloro-5-[1-[3-(methylamino)propyl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide

2-amino-N-[2-chloro-5-[1-[3-(methylamino)propyl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 135186921) has the molecular formula C17H19ClN6O2 and a molecular weight of 374.83 g/mol. Its IUPAC name is 2-amino-N-[2-chloro-5-[1-[3-(methylamino)propyl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-chloro-5-[1-[3-(methylamino)propyl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide
PubChem CID135186921
Molecular FormulaC17H19ClN6O2
Molecular Weight374.83 g/mol
Exact Mass374.13
IUPAC Name2-amino-N-[2-chloro-5-[1-[3-(methylamino)propyl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide
SMILESCNCCCn1cc(-c2ccc(Cl)c(NC(=O)c3coc(N)n3)c2)cn1
InChIInChI=1S/C17H19ClN6O2/c1-20-5-2-6-24-9-12(8-21-24)11-3-4-13(18)14(7-11)22-16(25)15-10-26-17(19)23-15/h3-4,7-10,20H,2,5-6H2,1H3,(H2,19,23)(H,22,25)
InChIKeyBLGAGQFRRMNZPQ-UHFFFAOYSA-N
XLogP2.64
TPSA111.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-chloro-5-[1-[3-(methylamino)propyl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-amino-N-[2-chloro-5-[1-[3-(methylamino)propyl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide (CID 135186921) is 2-amino-N-[2-chloro-5-[1-[3-(methylamino)propyl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[2-chloro-5-[1-[3-(methylamino)propyl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[2-chloro-5-[1-[3-(methylamino)propyl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide is CNCCCn1cc(-c2ccc(Cl)c(NC(=O)c3coc(N)n3)c2)cn1.
What is the InChIKey of 2-amino-N-[2-chloro-5-[1-[3-(methylamino)propyl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is BLGAGQFRRMNZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN6O2/c1-20-5-2-6-24-9-12(8-21-24)11-3-4-13(18)14(7-11)22-16(25)15-10-26-17(19)23-15/h3-4,7-10,20H,2,5-6H2,1H3,(H2,19,23)(H,22,25).
What are the key properties of 2-amino-N-[2-chloro-5-[1-[3-(methylamino)propyl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide?
2-amino-N-[2-chloro-5-[1-[3-(methylamino)propyl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 374.83 g/mol, XLogP of 2.64, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-chloro-5-[1-[3-(methylamino)propyl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 135186921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).