N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;hydrochloride

C18H19ClFN5O2 — CID 45261396

IUPACN-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;hydrochloride
SMILESCc1noc(C)c1C(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N.Cl
InChIInChI=1S/C18H18FN5O2.ClH/c1-10-16(11(2)26-24-10)18(25)22-14-7-8-15(23-17(14)20)21-9-12-3-5-13(19)6-4-12;/h3-8H,9H2,1-2H3,(H,22,25)(H3,20,21,23);1H
InChIKeyYPINTAWWTCSMHS-UHFFFAOYSA-N
MW391.83 g/mol
LogP3.69
Rot. Bonds5

About N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;hydrochloride

N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;hydrochloride (PubChem CID 45261396) has the molecular formula C18H19ClFN5O2 and a molecular weight of 391.83 g/mol. Its IUPAC name is N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;hydrochloride
PubChem CID45261396
Molecular FormulaC18H19ClFN5O2
Molecular Weight391.83 g/mol
Exact Mass391.12
IUPAC NameN-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;hydrochloride
SMILESCc1noc(C)c1C(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N.Cl
InChIInChI=1S/C18H18FN5O2.ClH/c1-10-16(11(2)26-24-10)18(25)22-14-7-8-15(23-17(14)20)21-9-12-3-5-13(19)6-4-12;/h3-8H,9H2,1-2H3,(H,22,25)(H3,20,21,23);1H
InChIKeyYPINTAWWTCSMHS-UHFFFAOYSA-N
XLogP3.69
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.83
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;hydrochloride (CID 45261396) is N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;hydrochloride is Cc1noc(C)c1C(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N.Cl.
What is the InChIKey of N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;hydrochloride?
The InChIKey is YPINTAWWTCSMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2.ClH/c1-10-16(11(2)26-24-10)18(25)22-14-7-8-15(23-17(14)20)21-9-12-3-5-13(19)6-4-12;/h3-8H,9H2,1-2H3,(H,22,25)(H3,20,21,23);1H.
What are the key properties of N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;hydrochloride?
N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;hydrochloride has a molecular weight of 391.83 g/mol, XLogP of 3.69, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 45261396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).