N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide

C16H18N4O4 — CID 126769962

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1noc(C)c1CC(C)NC(=O)c1c(C)oc2nc[nH]c(=O)c12
InChIInChI=1S/C16H18N4O4/c1-7(5-11-8(2)20-24-9(11)3)19-15(22)12-10(4)23-16-13(12)14(21)17-6-18-16/h6-7H,5H2,1-4H3,(H,19,22)(H,17,18,21)
InChIKeyVVCUWQRLGQSINE-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.79
Rot. Bonds4

About N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 126769962) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID126769962
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1noc(C)c1CC(C)NC(=O)c1c(C)oc2nc[nH]c(=O)c12
InChIInChI=1S/C16H18N4O4/c1-7(5-11-8(2)20-24-9(11)3)19-15(22)12-10(4)23-16-13(12)14(21)17-6-18-16/h6-7H,5H2,1-4H3,(H,19,22)(H,17,18,21)
InChIKeyVVCUWQRLGQSINE-UHFFFAOYSA-N
XLogP1.79
TPSA114.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 120651735
N-[1-(furan-2-yl)ethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 51073359
(2S)-2-hydroxy-3-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid
CID 107833087
N-(3-amino-2-hydroxy-3-oxopropyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 107261163
5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylcarbamoyl]furan-2-carboxylic acid
CID 120692172
2,4-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-hydroxybenzamide
CID 71860642
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(1-hydroxypropan-2-yl)urea
CID 111439093
N-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 99697784
6-methyl-4-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 47013790
6-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 78957760
5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylcarbamoyl]pyridine-2-carboxylic acid
CID 119137421
1-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81165040

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide (CID 126769962) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide is Cc1noc(C)c1CC(C)NC(=O)c1c(C)oc2nc[nH]c(=O)c12.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is VVCUWQRLGQSINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-7(5-11-8(2)20-24-9(11)3)19-15(22)12-10(4)23-16-13(12)14(21)17-6-18-16/h6-7H,5H2,1-4H3,(H,19,22)(H,17,18,21).
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 330.34 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 126769962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).