1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea

C17H25N5O3 — CID 97241974

IUPAC1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea
SMILESCCc1n[nH]c(=O)c(CNC(=O)N[C@@H](C)c2c(C)noc2C)c1CC
InChIInChI=1S/C17H25N5O3/c1-6-12-13(16(23)21-20-14(12)7-2)8-18-17(24)19-9(3)15-10(4)22-25-11(15)5/h9H,6-8H2,1-5H3,(H,21,23)(H2,18,19,24)/t9-/m0/s1
InChIKeyFVRKCEJKMQWBAF-VIFPVBQESA-N
MW347.42 g/mol
LogP2.06
Rot. Bonds6

About 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea

1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea (PubChem CID 97241974) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea
PubChem CID97241974
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea
SMILESCCc1n[nH]c(=O)c(CNC(=O)N[C@@H](C)c2c(C)noc2C)c1CC
InChIInChI=1S/C17H25N5O3/c1-6-12-13(16(23)21-20-14(12)7-2)8-18-17(24)19-9(3)15-10(4)22-25-11(15)5/h9H,6-8H2,1-5H3,(H,21,23)(H2,18,19,24)/t9-/m0/s1
InChIKeyFVRKCEJKMQWBAF-VIFPVBQESA-N
XLogP2.06
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-ethylurea
CID 71846788
2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]acetic acid
CID 79242440
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylurea
CID 115626660
3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]butanamide
CID 120873070
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
CID 109390007
1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[(2S)-1-hydroxybutan-2-yl]urea
CID 99856758
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R)-1-pyridin-4-ylethyl]urea
CID 97314303
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea
CID 111455508
5-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methylcarbamoyl]thiophene-2-carboxylic acid
CID 120552216
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1S)-1-(3,5-dimethylphenyl)ethyl]urea
CID 95615935
3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-2-methyl-3-phenylpropanamide
CID 167840250
1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 166212514

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea?
The IUPAC name of 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea (CID 97241974) is 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea is CCc1n[nH]c(=O)c(CNC(=O)N[C@@H](C)c2c(C)noc2C)c1CC.
What is the InChIKey of 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea?
The InChIKey is FVRKCEJKMQWBAF-VIFPVBQESA-N. The full InChI is InChI=1S/C17H25N5O3/c1-6-12-13(16(23)21-20-14(12)7-2)8-18-17(24)19-9(3)15-10(4)22-25-11(15)5/h9H,6-8H2,1-5H3,(H,21,23)(H2,18,19,24)/t9-/m0/s1.
What are the key properties of 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea?
1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea has a molecular weight of 347.42 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea is sourced from PubChem (CID 97241974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).