N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzamide

C25H33N5O5 — CID 29242286

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)c1
InChIInChI=1S/C25H33N5O5/c1-14(2)11-29(21-22(26)30(12-15(3)4)25(33)27-23(21)31)24(32)18-8-7-9-19(10-18)34-13-20-16(5)28-35-17(20)6/h7-10,14-15H,11-13,26H2,1-6H3,(H,27,31,33)
InChIKeyMPMAQXIOYMKYDX-UHFFFAOYSA-N
MW483.57 g/mol
LogP3.26
Rot. Bonds9

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzamide (PubChem CID 29242286) has the molecular formula C25H33N5O5 and a molecular weight of 483.57 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzamide
PubChem CID29242286
Molecular FormulaC25H33N5O5
Molecular Weight483.57 g/mol
Exact Mass483.25
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)c1
InChIInChI=1S/C25H33N5O5/c1-14(2)11-29(21-22(26)30(12-15(3)4)25(33)27-23(21)31)24(32)18-8-7-9-19(10-18)34-13-20-16(5)28-35-17(20)6/h7-10,14-15H,11-13,26H2,1-6H3,(H,27,31,33)
InChIKeyMPMAQXIOYMKYDX-UHFFFAOYSA-N
XLogP3.26
TPSA136.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzamide with MolForge

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Related Compounds

methyl 2-[3-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(3-methoxypropyl)carbamoyl]phenoxy]acetate
CID 55874466
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-4-propan-2-ylbenzamide
CID 29299004
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethyl-N-(4-fluorophenyl)benzamide
CID 51198625
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-methyl-N-(2-methylpropyl)benzamide
CID 8922784
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-4-nitrobenzamide
CID 29298909
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-(1-phenylethyl)benzamide
CID 51188159
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-chloro-N-(2-methylpropyl)benzamide
CID 4825510
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-chloro-N-(2-methylpropyl)-3-nitrobenzamide
CID 29298871
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2,6-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide
CID 29242290
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[(3-methylphenyl)methylsulfanyl]-N-(2-methylpropyl)acetamide
CID 30724872
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 30137077
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 29298893

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzamide (CID 29242286) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzamide is Cc1noc(C)c1COc1cccc(C(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)c1.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzamide?
The InChIKey is MPMAQXIOYMKYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O5/c1-14(2)11-29(21-22(26)30(12-15(3)4)25(33)27-23(21)31)24(32)18-8-7-9-19(10-18)34-13-20-16(5)28-35-17(20)6/h7-10,14-15H,11-13,26H2,1-6H3,(H,27,31,33).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzamide has a molecular weight of 483.57 g/mol, XLogP of 3.26, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 29242286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).