2-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide

C18H19N5O4 — CID 109309877

IUPAC2-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
SMILESCOc1ccc(CNc2nccc(C(=O)Nc3cc(C)on3)n2)cc1OC
InChIInChI=1S/C18H19N5O4/c1-11-8-16(23-27-11)22-17(24)13-6-7-19-18(21-13)20-10-12-4-5-14(25-2)15(9-12)26-3/h4-9H,10H2,1-3H3,(H,19,20,21)(H,22,23,24)
InChIKeyKHSATWVCFHERGK-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.65
Rot. Bonds7

About 2-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide

2-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide (PubChem CID 109309877) has the molecular formula C18H19N5O4 and a molecular weight of 369.38 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
PubChem CID109309877
Molecular FormulaC18H19N5O4
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC Name2-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
SMILESCOc1ccc(CNc2nccc(C(=O)Nc3cc(C)on3)n2)cc1OC
InChIInChI=1S/C18H19N5O4/c1-11-8-16(23-27-11)22-17(24)13-6-7-19-18(21-13)20-10-12-4-5-14(25-2)15(9-12)26-3/h4-9H,10H2,1-3H3,(H,19,20,21)(H,22,23,24)
InChIKeyKHSATWVCFHERGK-UHFFFAOYSA-N
XLogP2.65
TPSA111.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[3-(3,4-Diethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridine
CID 2033237
N-methyl-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide
CID 138549833
4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-methylpyridine-2-carboxamide
CID 138549840
N-methyl-4-[4-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyridine-2-carboxamide
CID 142752190
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-pyridinyl)propanamide
CID 665602
3-(3-Ethoxy-4-methoxyphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole
CID 666674
3-[3-(3,4-Dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridine
CID 1839142
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 3233895
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 3233966
[5-(3,4-dimethoxyphenyl)isoxazol-3-yl]-N-(3-imidazolylpropyl)carboxamide
CID 9550539
N-[2-(3,4-diethoxyphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 16023522
N-methyl-4-[3-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide
CID 145972562

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide (CID 109309877) is 2-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide is COc1ccc(CNc2nccc(C(=O)Nc3cc(C)on3)n2)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
The InChIKey is KHSATWVCFHERGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4/c1-11-8-16(23-27-11)22-17(24)13-6-7-19-18(21-13)20-10-12-4-5-14(25-2)15(9-12)26-3/h4-9H,10H2,1-3H3,(H,19,20,21)(H,22,23,24).
What are the key properties of 2-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
2-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide has a molecular weight of 369.38 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109309877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).